Molecule ID: mol1678
SMILES: Nc1ccc(F)cc1[N+](=O)[O-]
InChI: InChI=1S/C6H5FN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.44 | Hunt | 1 » 0 |
| -0.44 | AttenGpKa training set | 1 » 0 |
| -0.44 | QSARToolbox | 1 » 0 |
| -0.39 | OCHEM | 1 » 0 |
| -0.34 | QSARToolbox | 1 » 0 |