In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2005 | 15 | Yes |
Popular Name: 3-(4-Methylpiperazin-1-yl)benzonitrile 3-(4-Methylpiperazin-1-yl)benzon…
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CAS Numbers: 128071-98-7 , 204078-35-3 , [204078-35-3]
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) | 1.66 | 6 | -42.33 | 1 | 3 | 1 | 31 | 202.281 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 97% | Fluorochem |