Molecule ID: mol1695
SMILES: COc1ccc(N)cc1[N+](=O)[O-]
InChI: InChI=1S/C7H8N2O3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.36 | QSARToolbox | 1 » 0 |
| 3.36 | IUPAC digitized pKa | 1 » 0 |
| 3.36 | Hunt | 1 » 0 |
| 3.36 | OCHEM | 1 » 0 |
| 3.36 | OCHEM | 1 » 0 |
| 3.36 | AttenGpKa training set | 1 » 0 |