| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2008 | 21 | No |
Popular Name: (3Z)-5-bromo-3-[(4-isopropylphenyl)imino]-1,3-dihydro-2H-indol-2-one (3Z)-5-bromo-3-[(4-isopropylphen…
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CAS Number: 202826-97-9
| 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) | 5.54 | 7.68 | -7.84 | 1 | 3 | 0 | 45 | 343.224 | 2 | ↓ |
| Hi High (pH 8-9.5) | 5.99 | 5.38 | -45.12 | 0 | 3 | -1 | 48 | 342.216 | 2 | ↓ |
| Hi High (pH 8-9.5) | 5.99 | 5.91 | -41.91 | 0 | 3 | -1 | 48 | 342.216 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 244 - 246 | KeyOrganics |
