Molecule ID: mol6050
SMILES: Nc1cc(O)ccc1[N+](=O)[O-]
InChI: InChI=1S/C6H6N2O3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.61 | AttenGpKa training set | 1 » 0 |
| -0.55 | QSARToolbox | 1 » 0 |
| -0.55 | IUPAC digitized pKa | 1 » 0 |
| -0.55 | OCHEM | 1 » 0 |
| -0.55 | OCHEM | 1 » 0 |