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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ethyl thiooxamate Ethyl thiooxamate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.53 1.65 -11.17 2 3 0 52 133.172 3 ↓

Analogs

32225556
32225556
32225557
32225557
39235896
39235896

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Popular Name: 4,4-Dimethyl-2-cyclohexen-1-one 4,4-Dimethyl-2-cyclohexen-1-one

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.56 4.82 -5.4 0 1 0 17 124.183 0 ↓

Analogs

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Popular Name: 3,5-Bis(trifluoromethyl)phenyl isothiocyanate 3,5-Bis(trifluoromethyl)phenyl i…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.02 4.67 -2.48 0 1 0 12 271.185 3 ↓

Analogs

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Popular Name: 2-NAPHTHYL ISOCYANATE 2-NAPHTHYL ISOCYANATE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 1.24 -3.58 0 2 0 29 169.183 1 ↓

Analogs

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Popular Name: 4-Methylbenzyl isocyanate 4-Methylbenzyl isocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.92 2.93 -3.73 0 2 0 29 147.177 2 ↓

Analogs

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Popular Name: 1-(Isocyanatomethyl)-4-methoxybenzene 1-(Isocyanatomethyl)-4-methoxybe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 1.55 -5.27 0 3 0 39 163.176 3 ↓

Analogs

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Popular Name: 2-fluoro-5-(trifluoromethyl)phenyl isocyanate 2-fluoro-5-(trifluoromethyl)phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 3.78 -3.17 0 2 0 29 205.11 2 ↓

Analogs

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Popular Name: 4-Fluorobenzyl isocyanate 4-Fluorobenzyl isocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 2.32 -4.85 0 2 0 29 151.14 2 ↓

Analogs

39570033
39570033

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Popular Name: Ethyl 3-isocyanatopropionate Ethyl 3-isocyanatopropionate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.27 0.94 -4.94 0 4 0 56 143.142 5 ↓

Analogs

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Popular Name: 4-DIMETHYLAMINOPHENYL ISOCYANATE 4-DIMETHYLAMINOPHENYL ISOCYANATE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 2.93 -3.63 0 3 0 33 162.192 2 ↓

Analogs

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Popular Name: 3,4-DICHLOROBENZYL ISOCYANATE 3,4-DICHLOROBENZYL ISOCYANATE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 -0.48 -5.04 0 2 0 29 202.04 2 ↓

Analogs

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Popular Name: methyl 3-isocyanatobenzoate methyl 3-isocyanatobenzoate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.91 3.15 -6.24 0 4 0 56 177.159 3 ↓

Analogs

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Popular Name: 2,5-Hexanediol 2,5-Hexanediol

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.32 -1.32 -3.06 2 2 0 40 118.176 3 ↓

Analogs

901783
901783

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Popular Name: Methyl beta-D-galactopyranoside Methyl beta-D-galactopyranoside

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.03 -9.82 -7.88 4 6 0 99 194.183 2 ↓

Analogs

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Popular Name: 2-(Benzyloxy)ethanol 2-(Benzyloxy)ethanol

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.17 2.07 -6.16 1 2 0 29 152.193 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Benzoyl isothiocyanate Benzoyl isothiocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.64 4.06 -6.61 0 2 0 29 163.201 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Chloropropyl isocyanate 3-Chloropropyl isocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.95 0.64 -4.31 0 2 0 29 119.551 3 ↓

Analogs

38251280
38251280

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Popular Name: 4-Methoxyphenyl chloroformate 4-Methoxyphenyl chloroformate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 2.37 -4.72 0 3 0 36 186.594 3 ↓

Analogs

2582037
2582037
2582038
2582038
2582039
2582039
34560395
34560395
39384786
39384786

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Methylphenyl chloroformate 4-Methylphenyl chloroformate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.91 2.69 -4 0 2 0 26 170.595 2 ↓

Analogs

4528800
4528800
4528801
4528801
4528802
4528802
2504716
2504716

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Popular Name: (+)-MENTHYL CHLOROFORMATE (+)-MENTHYL CHLOROFORMATE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.42 2.74 -2.25 0 2 0 26 218.724 3 ↓

Analogs

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Popular Name: 4-Chlorobutyl chloroformate 4-Chlorobutyl chloroformate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.92 5.03 -3.79 0 2 0 26 171.023 5 ↓

Analogs

4262407
4262407

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Popular Name: 1-Chloro-2-methylpropyl chloroformate 1-Chloro-2-methylpropyl chlorofo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 1.93 -2.77 0 2 0 26 171.023 3 ↓

Analogs

2539482
2539482

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Popular Name: 1-Chloro-2-methylpropyl chloroformate 1-Chloro-2-methylpropyl chlorofo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 1.92 -2.78 0 2 0 26 171.023 3 ↓

Analogs

4521314
4521314

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Popular Name: 1-Chloroethyl chloroformate 1-Chloroethyl chloroformate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.72 3.41 -3.58 0 2 0 26 142.969 2 ↓

Analogs

2242593
2242593

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Popular Name: 1-Chloroethyl chloroformate 1-Chloroethyl chloroformate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.72 3.41 -3.59 0 2 0 26 142.969 2 ↓

Analogs

34449105
34449105
34567156
34567156
34617989
34617989

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Popular Name: 4-(Chloromethyl)benzoyl chloride 4-(Chloromethyl)benzoyl chloride

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 1.33 -4.98 0 1 0 17 189.041 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(Chloromethyl)benzoyl chloride 3-(Chloromethyl)benzoyl chloride

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 1.33 -5.15 0 1 0 17 189.041 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ISOCYANATOBENZOYL CHLORIDE 4-ISOCYANATOBENZOYL CHLORIDE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 1.25 -4.14 0 3 0 47 181.578 2 ↓

Analogs

39254643
39254643
39254646
39254646

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Popular Name: 1-Isocyanatoadamantane 1-Isocyanatoadamantane

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 -0.77 -1.94 0 2 0 29 177.247 1 ↓

Analogs

39270612
39270612

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Popular Name: n-Amyl isocyanate n-Amyl isocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.01 0 -2.3 0 2 0 29 113.16 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ethoxycarbonyl isocyanate Ethoxycarbonyl isocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.52 -2.06 -3.38 0 4 0 56 115.088 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CHLOROACETYL ISOCYANATE CHLOROACETYL ISOCYANATE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.00 -1.14 -5.87 0 3 0 47 119.507 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethoxyphenyl isocyanate 2,4-dimethoxyphenyl isocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.81 1.24 -5.31 0 4 0 48 179.175 3 ↓

Analogs

6661885
6661885

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Popular Name: Benzoyl isocyanate Benzoyl isocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.10 1.56 -4.72 0 3 0 47 147.133 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylphenyl isocyanate 2-ethylphenyl isocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.63 1.69 -2.57 0 2 0 29 147.177 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Cyanophenyl isocyanate 3-Cyanophenyl isocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.50 2.89 -5.25 0 3 0 53 144.133 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-Bis(trifluoromethyl)phenylisocyanate 3,5-Bis(trifluoromethyl)phenylis…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.48 5.36 -2.38 0 2 0 29 255.117 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-Dichlorophenyl isocyanate 3,5-Dichlorophenyl isocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.05 0.74 -1.33 0 2 0 29 188.013 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromophenyl isocyanate 3-bromophenyl isocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 0.27 -2.82 0 2 0 29 198.019 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Biphenylisocyanate 2-Biphenylisocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.51 1.92 -3.93 0 2 0 29 195.221 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-Isocyanatophenyl)ethanone 1-(3-Isocyanatophenyl)ethanone

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.64 2.96 -7.97 0 3 0 47 161.16 2 ↓

Analogs

164821
164821

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Popular Name: 4-Isopropylphenyl isocyanate 4-Isopropylphenyl isocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 1.83 -2.19 0 2 0 29 161.204 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Ethoxyphenyl isocyanate 2-Ethoxyphenyl isocyanate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 1.22 -4.96 0 3 0 39 163.176 3 ↓

Analogs

39018748
39018748
52230529
52230529
52230531
52230531

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Popular Name: 4-(4-Methoxyphenyl)-2-butanone 4-(4-Methoxyphenyl)-2-butanone

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.24 1.95 -6.9 0 2 0 26 178.231 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Furfuryl thioacetate Furfuryl thioacetate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 4.4 -5.56 0 2 0 30 156.206 3 ↓

Analogs

2382305
2382305

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Popular Name: 3-(Trifluoromethyl)benzoyl chloride 3-(Trifluoromethyl)benzoyl chloride

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 3.45 -5.45 0 1 0 17 208.566 2 ↓

Analogs

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Popular Name: 2-(Trifluoromethyl)benzoyl chloride 2-(Trifluoromethyl)benzoyl chloride

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.24 3.24 -7.97 0 1 0 17 208.566 2 ↓

Analogs

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Popular Name: 4-(trifluoromethoxy)phenyl isocyanate 4-(trifluoromethoxy)phenyl isocy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.74 2.61 -2.53 0 3 0 39 203.119 3 ↓

Analogs

34961492
34961492
39712885
39712885
2547296
2547296

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Popular Name: 4-(Trifluoromethoxy)benzamidoxime 4-(Trifluoromethoxy)benzamidoxime

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.22 1.17 -5.37 3 4 0 68 220.15 3 ↓

Analogs

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Popular Name: 2,2,2-Trifluoroethyl methacrylate 2,2,2-Trifluoroethyl methacrylate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 4.67 -4.73 0 2 0 26 168.114 4 ↓

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