Molecule ID: mol10983
SMILES: COc1ccc(C(O)C(F)(F)F)cc1
InChI: InChI=1S/C9H9F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8,13H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.20 | QSARToolbox | 0 » -1 |
| 12.24 | QSARToolbox | 0 » -1 |
| 12.24 | IUPAC digitized pKa | 0 » -1 |
| 12.24 | OCHEM | 0 » -1 |
| 12.24 | AttenGpKa training set | 0 » -1 |