| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2006 | 21 | No |
Popular Name: 1-(4-chlorobenzyl)-5-methyl-1H-indole-2,3-dione 3-oxime 1-(4-chlorobenzyl)-5-methyl-1H-i…
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CAS Number: 303740-89-8
| 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) | 3.99 | 7.67 | -12.71 | 1 | 4 | 0 | 55 | 300.745 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.99 | 7.99 | -57.04 | 0 | 4 | -1 | 57 | 299.737 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.99 | 8.81 | -63.1 | 0 | 4 | -1 | 57 | 299.737 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.66 | 7.74 | -14.84 | 1 | 4 | 0 | 55 | 300.745 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 234 - 236 | KeyOrganics |
