Molecule ID: mol6067
SMILES: Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChI: InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.44 | AttenGpKa training set | 1 » 0 |
| -2.31 | QSARToolbox | 1 » 0 |
| -2.28 | OCHEM | 1 » 0 |
| -2.25 | QSARToolbox | 1 » 0 |