In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 19 | Yes |
Popular Name: 4-(2,4-dichlorobenzoyl)-2-ethyl-5-methyl-1H-pyrazol-3-one 4-(2,4-dichlorobenzoyl)-2-ethyl-…
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) | 3.56 | 4.93 | -9.74 | 1 | 4 | 0 | 55 | 299.157 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4063925; US4070536; US4146726; US4261729; US4301293; US4414392; US4508910; US4687858 | IBM Patent Data |