| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2009 | 18 | Yes |
Popular Name: 1-(2H-1,3-benzodioxol-5-yl)cycloheptane-1-carbonitrile 1-(2H-1,3-benzodioxol-5-yl)cyclo…
Find On: PubMed — Wikipedia — Google
CAS Number: 1146290-24-5
| 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) | 4.08 | 6.97 | -10.22 | 0 | 3 | 0 | 42 | 243.306 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
