Molecule ID: mol1726
SMILES: Nc1ccc(OC(F)(F)F)cc1
InChI: InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.82 | QSARToolbox | 1 » 0 |
| 3.82 | IUPAC digitized pKa | 1 » 0 |
| 3.82 | OCHEM | 1 » 0 |
| 3.82 | Hunt | 1 » 0 |
| 3.82 | OCHEM | 1 » 0 |
| 3.83 | AttenGpKa training set | 1 » 0 |