Molecule ID: mol34491
SMILES: CC(C)Nc1ccc(S(=O)(=O)O)cc1
InChI: InChI=1S/C9H13NO3S/c1-7(2)10-8-3-5-9(6-4-8)14(11,12)13/h3-7,10H,1-2H3,(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | QSARToolbox | 0 » -1 |
| 3.92 | QSARToolbox | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |