Molecule ID: mol23194
SMILES: O=C(O)c1cc([S@TB12](=O)(=O)O)cc([S@TB3](=O)(=O)O)c1
InChI: InChI=1S/C7H6O8S2/c8-7(9)4-1-5(16(10,11)12)3-6(2-4)17(13,14)15/h1-3H,(H,8,9)(H,10,11,12)(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.05 | AttenGpKa training set | -2 » -3 |
| 4.05 | QSARToolbox | -2 » -3 |