Molecule ID: mol34422
SMILES: Cc1cc(C(=O)O)c(O)c(S(=O)(=O)O)c1
InChI: InChI=1S/C8H8O6S/c1-4-2-5(8(10)11)7(9)6(3-4)15(12,13)14/h2-3,9H,1H3,(H,10,11)(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.97 | QSARToolbox | -1 » -2 |
| 2.97 | QSARToolbox | -1 » -2 |
| 14.15 | QSARToolbox | -2 » -3 |