| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2009 | 17 | Yes |
Popular Name: 4-(4-ethylpiperazin-1-yl)-3-fluorobenzonitrile 4-(4-ethylpiperazin-1-yl)-3-fluo…
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CAS Number: 1157055-60-1
| 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) | 2.15 | 8.3 | -41.41 | 1 | 3 | 1 | 31 | 234.298 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 6.09 | -5.15 | 0 | 3 | 0 | 30 | 233.29 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
