| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2013 | 24 | Yes |
Popular Name: Methyl 2-(4-benzylpiperazino)-5-fluorobenzoate Methyl 2-(4-benzylpiperazino)-5-…
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CAS Numbers: 1256633-30-3 , 887978-75-8
1-(4-Bromophenyl)-4-oxocyclohexanecarboxylicAcid
| 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) | 3.77 | 9.4 | -4.46 | 0 | 4 | 0 | 33 | 328.387 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.77 | 11.63 | -33.56 | 1 | 4 | 1 | 34 | 329.395 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.