Molecule ID: mol34751
SMILES: CC(C)Nc1ccccc1S(=O)(=O)O
InChI: InChI=1S/C9H13NO3S/c1-7(2)10-8-5-3-4-6-9(8)14(11,12)13/h3-7,10H,1-2H3,(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.89 | QSARToolbox | 0 » -1 |
| 3.03 | QSARToolbox | 0 » -1 |
| 3.19 | QSARToolbox | 0 » -1 |