| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2006 | 27 | No |
Popular Name: 1-[3,5-bis(trifluoromethyl)benzyl]-1H-indole-2,3-dione 3-oxime 1-[3,5-bis(trifluoromethyl)benzy…
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CAS Number: 400076-72-4
| 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) | 4.61 | 8.5 | -13.52 | 1 | 4 | 0 | 55 | 388.267 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.61 | 9.64 | -62.04 | 0 | 4 | -1 | 57 | 387.259 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.61 | 8.8 | -55.86 | 0 | 4 | -1 | 57 | 387.259 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 225 - 228 | KeyOrganics |
