Molecule ID: mol22867
SMILES: O=C(O)c1cccc(S(=O)(=O)O)c1
InChI: InChI=1S/C7H6O5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.78 | QSARToolbox | -1 » -2 |
| 3.78 | QSARToolbox | -1 » -2 |
| 4.12 | AttenGpKa training set | -1 » -2 |
| 4.15 | QSARToolbox | -1 » -2 |
| 4.15 | QSARToolbox | -1 » -2 |