| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2006 | 20 | Yes |
Popular Name: 7-(2-chloro-6-fluorophenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile 7-(2-chloro-6-fluorophenyl)-5-me…
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CAS Number: 861209-94-1
| 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) | 2.58 | 2.68 | -9.03 | 0 | 4 | 0 | 72 | 288.713 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 3.64 | -43.7 | 1 | 4 | 1 | 74 | 289.721 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 221 - 223 | KeyOrganics |
