Molecule ID: mol1711
SMILES: Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]
InChI: InChI=1S/C12H10N2O2/c13-11-7-6-10(8-12(11)14(15)16)9-4-2-1-3-5-9/h1-8H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.88 | QSARToolbox | 1 » 0 |
| -0.82 | OCHEM | 1 » 0 |
| -0.76 | Hunt | 1 » 0 |
| -0.76 | AttenGpKa training set | 1 » 0 |
| -0.76 | QSARToolbox | 1 » 0 |