Molecule ID: mol10979
SMILES: Cc1ccc(C(O)C(F)(F)F)cc1
InChI: InChI=1S/C9H9F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5,8,13H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.04 | IUPAC digitized pKa | 0 » -1 |
| 12.04 | OCHEM | 0 » -1 |
| 12.04 | AttenGpKa training set | 0 » -1 |
| 12.40 | QSARToolbox | 0 » -1 |
| 12.40 | QSARToolbox | 0 » -1 |