| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 19 | No |
Popular Name: 5-methyl-4-{[3-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one 5-methyl-4-{[3-(trifluoromethyl)…
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CAS Number: 339020-94-9
| 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) | 2.26 | 4.38 | -16.88 | 2 | 4 | 0 | 58 | 269.226 | 3 | ↓ |
| Ref Reference (pH 7) | 2.26 | 4.4 | -13.79 | 2 | 4 | 0 | 58 | 269.226 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 2.62 | -59.03 | 1 | 4 | -1 | 61 | 268.218 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 2.74 | -62.09 | 1 | 4 | -1 | 61 | 268.218 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 222 - 224 | KeyOrganics |
