| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 15th, 2007 | 17 | No |
Popular Name: 1-(4-Chlorophenyl)-3-(Trifluoromethyl)-1H-Pyrazol-5(4H)-One 1-(4-Chlorophenyl)-3-(Trifluorom…
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CAS Number: 63695-48-7
| 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) | 3.01 | 6.1 | -6.01 | 0 | 3 | 0 | 33 | 262.618 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 3.97 | -6.66 | 1 | 3 | 0 | 38 | 262.618 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 224 - 226 | KeyOrganics |
