Molecule ID: mol2325
SMILES: O=C(NO)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C7H6N2O4/c10-7(8-11)5-1-3-6(4-2-5)9(12)13/h1-4,11H,(H,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.92 | QSARToolbox | 0 » -1 |
| 7.97 | AttenGpKa training set | 0 » -1 |
| 8.00 | QSARToolbox | 0 » -1 |
| 8.01 | Hunt | 0 » -1 |
| 8.01 | QSARToolbox | 0 » -1 |
| 8.02 | Datawarrior | 0 » -1 |
| 8.02 | QSARToolbox | 0 » -1 |
| 8.02 | QSARToolbox | 0 » -1 |
| 8.02 | QSARToolbox | 0 » -1 |
| 8.02 | OCHEM | 0 » -1 |