Molecule ID: mol23547
SMILES: O=C(O)C[S+]([O-])c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C8H7NO5S/c10-8(11)5-15(14)7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.59 | AttenGpKa training set | 0 » -1 |
| 4.05 | QSARToolbox | 0 » -1 |