Molecule ID: mol6481
SMILES: Cc1cc(S(=O)(=O)O)cc(C)n1
InChI: InChI=1S/C7H9NO3S/c1-5-3-7(12(9,10)11)4-6(2)8-5/h3-4H,1-2H3,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.09 | IUPAC digitized pKa | 0 » -1 |
| 5.09 | OCHEM | 0 » -1 |
| 5.90 | QSARToolbox | 0 » -1 |