Molecule ID: mol9896
SMILES: NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.19 | QSARToolbox | 0 » -1 |
| 9.19 | OCHEM | 0 » -1 |
| 9.19 | Datawarrior | 0 » -1 |
| 9.20 | IUPAC digitized pKa | 0 » -1 |
| 9.31 | AttenGpKa training set | 0 » -1 |