| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2010 | 13 | Yes |
Popular Name: Methyl 2-amino-5-cyanobenzoate Methyl 2-amino-5-cyanobenzoate
Find On: PubMed — Wikipedia — Google
CAS Number: 159847-81-1
| 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) | 1.46 | 3.62 | -7.36 | 2 | 4 | 0 | 76 | 176.175 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.