Molecule ID: mol23416
SMILES: COc1ccc(NC(=O)C(=O)O)cc1
InChI: InChI=1S/C9H9NO4/c1-14-7-4-2-6(3-5-7)10-8(11)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.65 | AttenGpKa training set | 0 » -1 |
| 2.65 | QSARToolbox | 0 » -1 |
| 2.65 | QSARToolbox | 0 » -1 |