Molecule ID: mol13965
SMILES: NC(=S)Nc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C7H7N3O2S/c8-7(13)9-5-1-3-6(4-2-5)10(11)12/h1-4H,(H3,8,9,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.75 | Datawarrior | 0 » -1 |
| 10.75 | OCHEM | 0 » -1 |
| 10.75 | QSARToolbox | 0 » -1 |
| 10.75 | AttenGpKa training set | 0 » -1 |
| 10.80 | QSARToolbox | 0 » -1 |