Molecule ID: mol11038
SMILES: COc1cccc(S(=O)(=O)CC(=O)O)c1
InChI: InChI=1S/C9H10O5S/c1-14-7-3-2-4-8(5-7)15(12,13)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.59 | IUPAC digitized pKa | 0 » -1 |
| 2.59 | OCHEM | 0 » -1 |
| 2.59 | AttenGpKa training set | 0 » -1 |
| 2.59 | QSARToolbox | 0 » -1 |
| 2.59 | QSARToolbox | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |