Molecule ID: mol17833
SMILES: O=C(O)CC(F)(F)F
InChI: InChI=1S/C3H3F3O2/c4-3(5,6)1-2(7)8/h1H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.92 | QSARToolbox | 0 » -1 |
| 2.92 | QSARToolbox | 0 » -1 |
| 3.02 | QSARToolbox | 0 » -1 |
| 3.02 | OCHEM | 0 » -1 |
| 3.06 | OCHEM | 0 » -1 |
| 3.06 | OCHEM | 0 » -1 |
| 3.06 | Baltruschat ChEMBL | 0 » -1 |
| 3.06 | AttenGpKa training set | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |