Molecule ID: mol24811
SMILES: NNC(c1ccccc1)C(F)(F)F
InChI: InChI=1S/C8H9F3N2/c9-8(10,11)7(13-12)6-4-2-1-3-5-6/h1-5,7,13H,12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.88 | OCHEM | 1 » 0 |
| 4.88 | AttenGpKa training set | 1 » 0 |
| 4.88 | QSARToolbox | 1 » 0 |
| 4.88 | QSARToolbox | 1 » 0 |