| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 11 | Yes |
Popular Name: 4-Cyanophenylacetonitrile 4-Cyanophenylacetonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 876-31-3 , [876-31-3]
| 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) | 1.66 | 4.13 | -11.93 | 0 | 2 | 0 | 47 | 142.161 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 100-104°C | Squarix |
| Boiling_Point | 180-181? | Alfa-Aesar |
| Boiling_Point | 180-181° | Alfa-Aesar |
| Boiling_Point | n.d. | Squarix |
No pre-computed analogs available. Try a structural similarity search.