| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 28th, 2007 | 17 | Yes |
Popular Name: 2-(4-methylphenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one 2-(4-methylphenyl)-5-(trifluorom…
Find On: PubMed — Wikipedia — Google
CAS Number: 63695-47-6
| 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) | 2.69 | 5.97 | -8.57 | 1 | 3 | 0 | 38 | 242.2 | 2 | ↓ |
| Ref Reference (pH 7) | 2.78 | 6.26 | -7.11 | 0 | 3 | 0 | 33 | 242.2 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 4.13 | -7.41 | 1 | 3 | 0 | 38 | 242.2 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 224 - 226 | KeyOrganics |
| PUBCHEM_PATENT_ID | US6107487 | IBM Patent Data |
