Molecule ID: mol22775
SMILES: C[S+]([O-])c1ccc(C(=O)O)cc1
InChI: InChI=1S/C8H8O3S/c1-12(11)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.66 | AttenGpKa training set | 0 » -1 |
| 5.01 | QSARToolbox | 0 » -1 |
| 5.01 | QSARToolbox | 0 » -1 |