Molecule ID: mol6511
SMILES: O=[N+]([O-])c1cccnc1S
InChI: InChI=1S/C5H4N2O2S/c8-7(9)4-2-1-3-6-5(4)10/h1-3H,(H,6,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.49 | QSARToolbox | 1 » 0 |
| 6.90 | IUPAC digitized pKa | 0 » -1 |
| 6.90 | OCHEM | 0 » -1 |
| 6.90 | OCHEM | 0 » -1 |
| 6.90 | QSARToolbox | 0 » -1 |