Molecule ID: mol8875
SMILES: NNc1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C6H7N3O2/c7-8-5-2-1-3-6(4-5)9(10)11/h1-4,8H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.36 | IUPAC digitized pKa | 1 » 0 |
| 4.36 | QSARToolbox | 1 » 0 |
| 4.38 | OCHEM | 1 » 0 |
| 4.39 | QSARToolbox | 1 » 0 |
| 4.39 | IUPAC digitized pKa | 1 » 0 |
| 4.39 | AttenGpKa training set | 1 » 0 |