In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2008 | 32 | No |
Popular Name: 3-[cyclohexyl(methyl)amino]-1,1,1-trifluoro-2-propanol 3-[cyclohexyl(methyl)amino]-1,1,…
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CAS Numbers: 251310-40-4 , 446276-15-9
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) | 7.36 | 17.21 | -7.97 | 0 | 3 | 0 | 27 | 461.392 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 115 - 123 | KeyOrganics |
Popular Name: 1,2-diphenyl-1,5,6,7-tetrahydro-4H-indol-4-one O-(3-chlorobenzyl)oxime 1,2-diphenyl-1,5,6,7-tetrahydro-…
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) | 6.73 | 16.71 | -11.18 | 0 | 3 | 0 | 27 | 426.947 | 5 | ↓ |
Ref Reference (pH 7) | 6.73 | 16.71 | -9.45 | 0 | 3 | 0 | 27 | 426.947 | 5 | ↓ |
Popular Name: [(E)-[2,6,6-trimethyl-1-(p-tolyl)-5,7-dihydroindol-4-ylidene]amino] [(E)-[2,6,6-trimethyl-1-(p-tolyl…
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) | 6.83 | 16.48 | -14.21 | 0 | 4 | 0 | 44 | 420.94 | 4 | ↓ |
Popular Name: [(E)-[1-(3,4-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-ylidene]amino] [(E)-[1-(3,4-dimethylphenyl)-2,6…
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) | 7.42 | 17.02 | -14.37 | 0 | 4 | 0 | 44 | 434.967 | 4 | ↓ |
Popular Name: [(E)-[1-(3,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-ylidene]amino] [(E)-[1-(3,5-dimethylphenyl)-2,6…
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) | 7.63 | 17.13 | -14.1 | 0 | 4 | 0 | 44 | 434.967 | 4 | ↓ |
Popular Name: O1-[(E)-[1-(4-chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-ylidene]amino] O1-[(E)-[1-(4-chlorophenyl)-2,6,…
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) | 5.85 | 16.87 | -23.13 | 0 | 6 | 0 | 70 | 464.949 | 6 | ↓ |
Popular Name: [(E)-[1-(4-bromophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-ylidene]amino] [(E)-[1-(4-bromophenyl)-2,6,6-tr…
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) | 7.19 | 16.43 | -13.71 | 0 | 4 | 0 | 44 | 485.809 | 4 | ↓ |