| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 12 | Yes |
Popular Name: 3-[(4-pyridylmethyl)amino]propanenitrile 3-[(4-pyridylmethyl)amino]propan…
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CAS Number: 648409-30-7
| 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) | -0.33 | 4 | -60.31 | 2 | 3 | 1 | 53 | 162.216 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.33 | 4.28 | -117.19 | 3 | 3 | 2 | 55 | 163.224 | 4 | ↓ |
