Molecule ID: mol12605
SMILES: O=[N+]([O-])c1cccc(NC=S)c1
InChI: InChI=1S/C7H6N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-5H,(H,8,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.30 | Datawarrior | 0 » -1 |
| 10.30 | OCHEM | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |