| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 16 | Yes |
Popular Name: 2-(4-bromophenyl)-2-(piperazin-1-yl)acetonitrile 2-(4-bromophenyl)-2-(piperazin-1…
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CAS Number: 1000406-20-1
| 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) | 1.82 | 4.78 | -49.8 | 2 | 3 | 1 | 44 | 281.177 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 3.36 | -6.06 | 1 | 3 | 0 | 39 | 280.169 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 83 - 85 | Enamine Building Blocks |
| MP | 83...85 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
