| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2010 | 14 | Yes |
Popular Name: Acetonitrile, - Acetonitrile, -
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CAS Number: 199387-53-6
| 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) | 1.28 | 3.03 | -20.1 | 0 | 3 | 0 | 54 | 222.294 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.