| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 17 | Yes |
Popular Name: 4-(2-Cyano-acetylamino)-benzoic acid ethyl ester 4-(2-Cyano-acetylamino)-benzoic …
Find On: PubMed — Wikipedia — Google
CAS Number: 15029-53-5
benzoic acid, 4-[(cyanoacetyl)amino]-, ethyl ester
ethyl 4-[(cyanoacetyl)amino]benzoate
| 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) | 1.12 | 5.47 | -20.64 | 1 | 5 | 0 | 79 | 232.239 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
