In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2009 | 16 | No |
Popular Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]acetonitrile 2-[4-(4-chlorophenyl)piperazin-1…
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CAS Number: 91494-88-1
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) | 2.39 | 5.38 | -8.35 | 0 | 3 | 0 | 30 | 235.718 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.39 | 7.6 | -53.51 | 1 | 3 | 1 | 31 | 236.726 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |