Molecule ID: mol9897
SMILES: NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.63 | Datawarrior | 0 » -1 |
| 8.63 | OCHEM | 0 » -1 |
| 8.94 | AttenGpKa training set | 0 » -1 |
| 9.14 | IUPAC digitized pKa | 0 » -1 |