Molecule ID: mol10127
SMILES: O=C(O)c1ccc(S(=O)(=O)O)cc1
InChI: InChI=1S/C7H6O5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.65 | IUPAC digitized pKa | -1 » -2 |
| 3.72 | QSARToolbox | -1 » -2 |
| 3.72 | QSARToolbox | -1 » -2 |
| 4.03 | AttenGpKa training set | -1 » -2 |
| 4.11 | QSARToolbox | -1 » -2 |
| 4.12 | IUPAC digitized pKa | -1 » -2 |