Molecule ID: mol12606
SMILES: O=[N+]([O-])c1ccc(NC=S)cc1
InChI: InChI=1S/C7H6N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-5H,(H,8,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.11 | QSARToolbox | 0 » -1 |
| 10.11 | Datawarrior | 0 » -1 |
| 10.11 | OCHEM | 0 » -1 |