| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 16 | Yes |
Popular Name: 3-(4-Chloropyrazol-1-ylmethyl)benzoic acid 3-(4-Chloropyrazol-1-ylmethyl)be…
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CAS Number: 676348-40-6
3-(4-Chloro-pyrazol-1-ylmethyl)-benzoic acid
3-[(4-Chloro-1H-pyrazol-1-yl)methyl]benzoic acid
3-[(4-chloro-1h-pyrazol-1-yl)methyl]benzoicacid
| 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 | 7.21 | -50.96 | 0 | 4 | -1 | 58 | 235.65 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.