Molecule ID: mol11065
SMILES: Cc1cc(O)cc(C)c1S(C)(=O)=O
InChI: InChI=1S/C9H12O3S/c1-6-4-8(10)5-7(2)9(6)13(3,11)12/h4-5,10H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.13 | IUPAC digitized pKa | 0 » -1 |
| 8.13 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.13 | OCHEM | 0 » -1 |
| 8.13 | OCHEM | 0 » -1 |
| 8.13 | OCHEM | 0 » -1 |
| 8.13 | AttenGpKa training set | 0 » -1 |
| 8.13 | QSARToolbox | 0 » -1 |
| 8.13 | QSARToolbox | 0 » -1 |
| 8.13 | QSARToolbox | 0 » -1 |
| 8.13 | QSARToolbox | 0 » -1 |