Molecule ID: mol22745
SMILES: O=C(O)Cc1ccccc1C(=O)O
InChI: InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.72 | AttenGpKa training set | 0 » -1 |
| 6.05 | AttenGpKa training set | -1 » -2 |