| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2010 | 18 | Yes |
Popular Name: 4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)benzonitrile 4-(2,5-dimethyl-3-oxo-1H-pyrazol…
| 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) | 1.65 | 3.37 | -12.23 | 1 | 5 | 0 | 79 | 241.25 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4063925; US4146726; US4261729; US4301293; US4414392; US4508910; US4687858 | IBM Patent Data |
