| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 31st, 2013 | 13 | Yes |
Popular Name: METHYL 4-BROMO-3-CYANOBENZOATE METHYL 4-BROMO-3-CYANOBENZOATE
Find On: PubMed — Wikipedia — Google
CAS Number: 1232424-44-0
| 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) | 2.60 | 6.02 | -7.78 | 0 | 3 | 0 | 50 | 240.056 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.