| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 9 | Yes |
Popular Name: 4-METHYL-5-OXO-HEXANENITRILE 4-METHYL-5-OXO-HEXANENITRILE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10413-01-1 , [10413-01-1]
| 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 | 4.61 | -12.82 | 0 | 2 | 0 | 41 | 125.171 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 163 - 164 | MolMall (formerly Molecular Diversity Preservation International) |
