Molecule ID: mol13966
SMILES: NC(=S)Nc1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C7H7N3O2S/c8-7(13)9-5-2-1-3-6(4-5)10(11)12/h1-4H,(H3,8,9,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.10 | Datawarrior | 0 » -1 |
| 11.10 | OCHEM | 0 » -1 |
| 11.10 | AttenGpKa training set | 0 » -1 |
| 11.10 | QSARToolbox | 0 » -1 |
| 11.10 | QSARToolbox | 0 » -1 |