Molecule ID: mol22868
SMILES: O=C(O)c1ccccc1S(=O)(=O)O
InChI: InChI=1S/C7H6O5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.72 | QSARToolbox | -1 » -2 |
| 3.72 | QSARToolbox | -1 » -2 |
| 3.82 | AttenGpKa training set | -1 » -2 |