| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2006 | 24 | No |
Popular Name: 5-chloro-1-[3-(trifluoromethyl)benzyl]-1H-indole-2,3-dione 3-oxime 5-chloro-1-[3-(trifluoromethyl)b…
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CAS Number: 303740-90-1
| 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) | 4.41 | 7.29 | -14.69 | 1 | 4 | 0 | 55 | 354.715 | 3 | ↓ |
| Ref Reference (pH 7) | 4.41 | 7.99 | -15.75 | 1 | 4 | 0 | 55 | 354.715 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 9.12 | -56.3 | 0 | 4 | -1 | 57 | 353.707 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 8.29 | -58.32 | 0 | 4 | -1 | 57 | 353.707 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 201 - 205 | KeyOrganics |
