Molecule ID: mol22750
SMILES: Cc1cc(C(=O)O)cc(C(=O)O)c1
InChI: InChI=1S/C9H8O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | AttenGpKa training set | -1 » -2 |
| 4.82 | AttenGpKa training set | 0 » -1 |