| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 11 | No |
Popular Name: 1,5-Cyclohexadiene-1-acetonitrile, 3,4-dioxo- (9CI) 1,5-Cyclohexadiene-1-acetonitril…
Find On: PubMed — Wikipedia — Google
CAS Number: 522633-51-8
| 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) | 0.45 | 4.29 | -16.77 | 0 | 3 | 0 | 58 | 147.133 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.07 | 3.56 | -56.89 | 0 | 3 | -1 | 64 | 146.125 | 0 | ↓ |
