Molecule ID: mol22749
SMILES: Cc1cccc(C(=O)O)c1C(=O)O
InChI: InChI=1S/C9H8O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.16 | AttenGpKa training set | 0 » -1 |
| 5.20 | AttenGpKa training set | -1 » -2 |