In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2004 | 15 | Yes |
Popular Name: 6-(1,4-diazepan-1-yl)nicotinonitrile 6-(1,4-diazepan-1-yl)nicotinonit…
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CAS Number: 683274-59-1
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) | 0.47 | 4.02 | -103.6 | 3 | 4 | 2 | 58 | 204.277 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 57-61.5° | Fluorochem |