Molecule ID: mol6512
SMILES: O=[N+]([O-])c1ccc(S)nc1
InChI: InChI=1S/C5H4N2O2S/c8-7(9)4-1-2-5(10)6-3-4/h1-3H,(H,6,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.00 | QSARToolbox | 1 » 0 |
| 6.59 | IUPAC digitized pKa | 0 » -1 |
| 6.59 | QSARToolbox | 0 » -1 |