Molecule ID: mol6480
SMILES: Cc1ccc(S(=O)(=O)O)c(C)n1
InChI: InChI=1S/C7H9NO3S/c1-5-3-4-7(6(2)8-5)12(9,10)11/h3-4H,1-2H3,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.89 | QSARToolbox | 0 » -1 |
| 4.89 | IUPAC digitized pKa | 0 » -1 |
| 4.89 | OCHEM | 0 » -1 |