| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2010 | 15 | Yes |
Popular Name: Benzoic acid, 3-cyano-5-ethoxy-, methyl ester (9CI) Benzoic acid, 3-cyano-5-ethoxy-,…
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CAS Number: 453565-86-1
| 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) | 2.22 | 5.74 | -6.99 | 0 | 4 | 0 | 59 | 205.213 | 4 | ↓ |
