In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2010 | 11 | Yes |
Popular Name: 3-Pyridinepropanenitrile, alpha-amino- (9CI) 3-Pyridinepropanenitrile, alpha-…
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CAS Number: 680569-44-2
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) | -0.47 | 1.57 | -8.05 | 2 | 3 | 0 | 63 | 147.181 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.47 | 1.9 | -55.45 | 3 | 3 | 1 | 64 | 148.189 | 2 | ↓ |