Molecule ID: mol2349
SMILES: CC(C)(C)c1ccc(S(=O)(=O)CC(=O)O)cc1
InChI: InChI=1S/C12H16O4S/c1-12(2,3)9-4-6-10(7-5-9)17(15,16)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.60 | IUPAC digitized pKa | 0 » -1 |
| 2.60 | Hunt | 0 » -1 |
| 2.60 | AttenGpKa training set | 0 » -1 |
| 2.60 | QSARToolbox | 0 » -1 |
| 2.60 | QSARToolbox | 0 » -1 |