Molecule ID: mol17832
SMILES: O=C(O)c1cccc(C(F)(F)F)c1
InChI: InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.75 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.75 | QSARToolbox | 0 » -1 |
| 3.75 | QSARToolbox | 0 » -1 |
| 3.79 | QSARToolbox | 0 » -1 |
| 3.79 | Baltruschat ChEMBL | 0 » -1 |