Molecule ID: mol11031
SMILES: COc1ccc([S+]([O-])CC(=O)O)cc1
InChI: InChI=1S/C9H10O4S/c1-13-7-2-4-8(5-3-7)14(12)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.75 | QSARToolbox | 0 » -1 |
| 2.75 | QSARToolbox | 0 » -1 |
| 2.75 | IUPAC digitized pKa | 0 » -1 |
| 2.75 | AttenGpKa training set | 0 » -1 |
| 4.47 | QSARToolbox | 0 » -1 |