Molecule ID: mol1718
SMILES: Nc1ccc(OC(F)(F)C(F)F)cc1
InChI: InChI=1S/C8H7F4NO/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.98 | IUPAC digitized pKa | 1 » 0 |
| 3.98 | Hunt | 1 » 0 |
| 3.98 | OCHEM | 1 » 0 |
| 3.98 | AttenGpKa training set | 1 » 0 |
| 3.98 | QSARToolbox | 1 » 0 |