| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2006 | 21 | No |
Popular Name: (3Z)-1-(2,6-dichlorobenzyl)-1H-indole-2,3-dione 3-oxime (3Z)-1-(2,6-dichlorobenzyl)-1H-i…
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CAS Numbers: , 1164479-10-0
1-(2,6-dichlorobenzyl)-1H-indole-2,3-dione 3-oxime
1H-indole-2,3-dione, 1-[(2,6-dichlorophenyl)methyl]-, 3-oxime, (3Z)-
| 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) | 3.62 | 6.62 | -9.05 | 0 | 4 | 0 | 50 | 321.163 | 3 | ↓ |
| Ref Reference (pH 7) | 4.15 | 6.87 | -10.9 | 1 | 4 | 0 | 55 | 321.163 | 2 | ↓ |
| Ref Reference (pH 7) | 3.62 | 6.62 | -9.16 | 0 | 4 | 0 | 50 | 321.163 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 7.24 | -54.21 | 0 | 4 | -1 | 57 | 320.155 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 7.99 | -60.16 | 0 | 4 | -1 | 57 | 320.155 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.81 | 7.08 | -10.92 | 1 | 4 | 0 | 55 | 321.163 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 230 | KeyOrganics |
