Molecule ID: mol22281
SMILES: O=C(O)CCC(F)(F)F
InChI: InChI=1S/C4H5F3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.35 | OCHEM | 0 » -1 |
| 3.35 | OCHEM | 0 » -1 |
| 4.15 | QSARToolbox | 0 » -1 |
| 4.15 | QSARToolbox | 0 » -1 |
| 4.16 | OCHEM | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | AttenGpKa training set | 0 » -1 |
| 4.17 | QSARToolbox | 0 » -1 |