Molecule ID: mol693
SMILES: O=C(NO)c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C7H6N2O4/c10-7(8-11)5-2-1-3-6(4-5)9(12)13/h1-4,11H,(H,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.07 | QSARToolbox | 0 » -1 |
| 8.07 | QSARToolbox | 0 » -1 |
| 8.07 | QSARToolbox | 0 » -1 |
| 8.07 | OCHEM | 0 » -1 |
| 8.07 | Datawarrior | 0 » -1 |
| 8.07 | Hunt | 0 » -1 |
| 8.14 | AttenGpKa training set | 0 » -1 |