| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 18 | Yes |
Popular Name: 2-(4-methoxyphenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one 2-(4-methoxyphenyl)-5-(trifluoro…
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CAS Number: 338422-68-7
| 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) | 2.30 | 4.58 | -8.88 | 1 | 4 | 0 | 47 | 258.199 | 3 | ↓ |
| Ref Reference (pH 7) | 2.39 | 4.87 | -7.7 | 0 | 4 | 0 | 42 | 258.199 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | 2.73 | -7.76 | 1 | 4 | 0 | 47 | 258.199 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 198 - 201 | KeyOrganics |
| PUBCHEM_PATENT_ID | US5750550; WO1997010243A1 | IBM Patent Data |
