| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 2006 | 15 | Yes |
Popular Name: 3-ACETYL-2,4-DIMETHYL-5-CARBETHOXYPYRROLE 3-ACETYL-2,4-DIMETHYL-5-CARBETHO…
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CAS Numbers: 2386-26-7 , 371933-91-4
1H-Pyrrole-3-carboxylic acid, 4-acetyl-2,5-dimethyl-, ethyl ester (9CI)
| 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) | 1.26 | 5.69 | -14.1 | 1 | 4 | 0 | 59 | 209.245 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.