| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2006 | 15 | Yes |
Popular Name: 3-Fluoro-4-piperazinylbenzenecarbonitrile 3-Fluoro-4-piperazinylbenzenecar…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 182181-38-0 , [182181-38-0]
3-fluoro-4-(piperazin-1-yl)benzonitrile
3-Fluoro-4-piperazinobenzonitrile
| 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) | 1.18 | 5.39 | -47.22 | 2 | 3 | 1 | 44 | 206.244 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 4.09 | -5.34 | 1 | 3 | 0 | 39 | 205.236 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 84 - 86 | Enamine Building Blocks |
| MP | 84...86 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
