Molecule ID: mol22743
SMILES: O=C(O)Cc1ccc(C(=O)O)cc1
InChI: InChI=1S/C9H8O4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.79 | QSARToolbox | 0 » -1 |
| 3.79 | AttenGpKa training set | 0 » -1 |
| 4.78 | AttenGpKa training set | -1 » -2 |