Molecule ID: mol30589
SMILES: O=S(=O)(O)c1cccc(O)c1
InChI: InChI=1S/C6H6O4S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4,7H,(H,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.07 | QSARToolbox | -1 » -2 |
| 9.07 | OCHEM | -1 » -2 |
| 9.07 | OCHEM | -1 » -2 |
| 9.29 | AttenGpKa training set | -1 » -2 |