| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 20 | No |
Popular Name: 5-bromo-3-[(3-chloro-4-methylphenyl)imino]-1H-indol-2-one 5-bromo-3-[(3-chloro-4-methylphe…
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CAS Number: 386761-11-1
| 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) | 5.08 | 6.56 | -9.06 | 1 | 3 | 0 | 45 | 349.615 | 1 | ↓ |
| Ref Reference (pH 7) | 5.08 | 6.85 | -8.43 | 1 | 3 | 0 | 45 | 349.615 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.54 | 5.08 | -41.07 | 0 | 3 | -1 | 48 | 348.607 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.54 | 4.55 | -43.1 | 0 | 3 | -1 | 48 | 348.607 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 257 - 260 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
