Molecule ID: mol2543
SMILES: Nc1ccc(OC(F)(F)C(F)(F)F)cc1
InChI: InChI=1S/C8H6F5NO/c9-7(10,11)8(12,13)15-6-3-1-5(14)2-4-6/h1-4H,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.78 | QSARToolbox | 1 » 0 |
| 3.78 | IUPAC digitized pKa | 1 » 0 |
| 3.78 | Hunt | 1 » 0 |
| 3.78 | OCHEM | 1 » 0 |
| 3.78 | AttenGpKa training set | 1 » 0 |