Molecule ID: mol21030
SMILES: COC(=O)CC1c2ccc(Cl)cc2NC(=O)C1C#N
InChI: InChI=1S/C13H11ClN2O3/c1-19-12(17)5-9-8-3-2-7(14)4-11(8)16-13(18)10(9)6-15/h2-4,9-10H,5H2,1H3,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.20 | OCHEM | 0 » -1 |
| 10.20 | Baltruschat ChEMBL | 0 » -1 |