| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 20 | No |
Popular Name: 3-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-benzoic acid 3-(3,5-Dimethyl-4-nitro-pyrazol-…
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CAS Number: 400752-48-9
3-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-benzoi
3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)benzoicacid
3-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-benzoic acid
3-[(3,5-dimethyl-4-nitro-1h-pyrazol-1-yl)methyl]-benzoicacid
3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzenecarboxylic acid
| 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) | 2.20 | 8.54 | -58.19 | 0 | 7 | -1 | 104 | 274.256 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
