| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 2006 | 14 | Yes |
Popular Name: 3-(Pyridin-3-yl)benzonitrile 3-(Pyridin-3-yl)benzonitrile
Find On: PubMed — Wikipedia — Google
CAS Number: 4350-54-3
| 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) | 2.39 | 6.53 | -8.67 | 0 | 2 | 0 | 37 | 180.21 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.39 | 6.81 | -39.75 | 1 | 2 | 1 | 38 | 181.218 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 86 - 88 | Enamine Building Blocks |
| MP | 86...88 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
