Molecule ID: mol13678
SMILES: Cc1nc([N+](=O)[O-])c[nH]1
InChI: InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.86 | AttenGpKa training set | 1 » 0 |
| 9.75 | Datawarrior | 0 » -1 |
| 9.75 | OCHEM | 0 » -1 |
| 9.75 | QSARToolbox | 0 » -1 |
| 9.75 | AttenGpKa training set | 0 » -1 |