Molecule ID: mol8874
SMILES: NNc1ccccc1[N+](=O)[O-]
InChI: InChI=1S/C6H7N3O2/c7-8-5-3-1-2-4-6(5)9(10)11/h1-4,8H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -7.70 | AttenGpKa training set | 2 » 1 |
| -7.70 | QSARToolbox | 2 » 1 |
| 3.50 | IUPAC digitized pKa | 1 » 0 |
| 3.50 | OCHEM | 1 » 0 |
| 3.50 | QSARToolbox | 1 » 0 |
| 3.50 | AttenGpKa training set | 1 » 0 |
| 3.72 | QSARToolbox | 1 » 0 |