Molecule ID: mol1696
SMILES: COc1ccc([N+](=O)[O-])c(N)c1
InChI: InChI=1S/C7H8N2O3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.72 | QSARToolbox | 1 » 0 |
| -0.72 | IUPAC digitized pKa | 1 » 0 |
| -0.72 | Hunt | 1 » 0 |
| -0.72 | OCHEM | 1 » 0 |
| -0.72 | AttenGpKa training set | 1 » 0 |