Molecule ID: mol23030
SMILES: COC(=O)c1ccc(C(=O)O)cc1NC(C)=O
InChI: InChI=1S/C11H11NO5/c1-6(13)12-9-5-7(10(14)15)3-4-8(9)11(16)17-2/h3-5H,1-2H3,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.59 | AttenGpKa training set | 0 » -1 |