Molecule ID: mol11039
SMILES: COc1ccc(S(=O)(=O)CC(=O)O)cc1
InChI: InChI=1S/C9H10O5S/c1-14-7-2-4-8(5-3-7)15(12,13)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.60 | QSARToolbox | 0 » -1 |
| 2.60 | QSARToolbox | 0 » -1 |
| 2.60 | IUPAC digitized pKa | 0 » -1 |
| 2.60 | OCHEM | 0 » -1 |
| 2.60 | AttenGpKa training set | 0 » -1 |
| 2.62 | QSARToolbox | 0 » -1 |
| 2.62 | QSARToolbox | 0 » -1 |