| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 12 | Yes |
Popular Name: 3-[(pyridin-2-ylmethyl)amino]propanenitrile 3-[(pyridin-2-ylmethyl)amino]pro…
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CAS Number: 112086-58-5
| 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) | -0.22 | 2.5 | -9.75 | 1 | 3 | 0 | 49 | 161.208 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.22 | 3.91 | -53.35 | 2 | 3 | 1 | 53 | 162.216 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.22 | 2.88 | -38.35 | 2 | 3 | 1 | 50 | 162.216 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
