Molecule ID: mol23439
SMILES: O=C(O)Cc1ccc(C(F)(F)F)cc1
InChI: InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.99 | AttenGpKa training set | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |