Molecule ID: mol13877
SMILES: O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1
InChI: InChI=1S/C6H4N2O4S/c9-7(10)4-1-2-6(13)5(3-4)8(11)12/h1-3,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | Datawarrior | 0 » -1 |
| 3.40 | OCHEM | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.40 | OCHEM | 0 » -1 |