Molecule ID: mol2541
SMILES: Cc1cccc([N+](=O)[O-])c1N
InChI: InChI=1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.71 | IUPAC digitized pKa | 1 » 0 |
| -0.71 | OCHEM | 1 » 0 |
| -0.71 | Hunt | 1 » 0 |
| -0.71 | OCHEM | 1 » 0 |
| -0.71 | QSARToolbox | 1 » 0 |
| -0.69 | AttenGpKa training set | 1 » 0 |