| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2005 | 19 | Yes |
Popular Name: 7-(4-chlorophenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile 7-(4-chlorophenyl)-5-methyl-6,7-…
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CAS Number: 861209-95-2
| 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) | 2.51 | -3.46 | -11.99 | 0 | 4 | 0 | 72 | 270.723 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.51 | -0.83 | -54.2 | 1 | 4 | 1 | 73 | 271.731 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 208 - 210 | KeyOrganics |
