Molecule ID: mol22486
SMILES: O=C(O)CCC(F)(F)C(F)(F)C(F)(F)F
InChI: InChI=1S/C6H5F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | OCHEM | 0 » -1 |
| 4.18 | OCHEM | 0 » -1 |
| 4.18 | OCHEM | 0 » -1 |
| 4.18 | AttenGpKa training set | 0 » -1 |