Molecule ID: mol23470
SMILES: COc1ccc(C(=O)C(=O)O)cc1OC
InChI: InChI=1S/C10H10O5/c1-14-7-4-3-6(5-8(7)15-2)9(11)10(12)13/h3-5H,1-2H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.79 | QSARToolbox | 0 » -1 |
| 1.79 | QSARToolbox | 0 » -1 |
| 1.79 | OCHEM | 0 » -1 |
| 1.79 | AttenGpKa training set | 0 » -1 |