Molecule ID: mol24280
SMILES: NCc1ccc(C(F)(F)F)cc1
InChI: InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.35 | QSARToolbox | 1 » 0 |
| 8.65 | AttenGpKa training set | 1 » 0 |
| 8.95 | QSARToolbox | 1 » 0 |