Molecule ID: mol2578
SMILES: O=C(O)C(F)(F)F
InChI: InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.11 | AttenGpKa training set | 0 » -1 |
| 0.19 | QSARToolbox | 0 » -1 |
| 0.19 | QSARToolbox | 0 » -1 |
| 0.20 | QSARToolbox | 0 » -1 |
| 0.20 | QSARToolbox | 0 » -1 |
| 0.23 | Datawarrior | 0 » -1 |
| 0.23 | OCHEM | 0 » -1 |
| 0.23 | Baltruschat ChEMBL | 0 » -1 |
| 0.23 | QSARToolbox | 0 » -1 |
| 0.23 | QSARToolbox | 0 » -1 |
| 0.23 | QSARToolbox | 0 » -1 |
| 0.23 | QSARToolbox | 0 » -1 |
| 0.23 | QSARToolbox | 0 » -1 |
| 0.27 | QSARToolbox | 0 » -1 |
| 0.27 | QSARToolbox | 0 » -1 |
| 0.28 | QSARToolbox | 0 » -1 |
| 0.28 | QSARToolbox | 0 » -1 |
| 0.30 | OCHEM | 0 » -1 |
| 0.30 | Hunt | 0 » -1 |
| 0.40 | OCHEM | 0 » -1 |
| 0.47 | IUPAC digitized pKa | 0 » -1 |
| 0.48 | IUPAC digitized pKa | 0 » -1 |
| 0.50 | IUPAC digitized pKa | 0 » -1 |
| 0.50 | Baltruschat ChEMBL | 0 » -1 |
| 0.51 | IUPAC digitized pKa | 0 » -1 |
| 0.51 | IUPAC digitized pKa | 0 » -1 |
| 0.52 | QSARToolbox | 0 » -1 |
| 0.52 | QSARToolbox | 0 » -1 |
| 0.52 | QSARToolbox | 0 » -1 |
| 0.52 | QSARToolbox | 0 » -1 |
| 0.52 | IUPAC digitized pKa | 0 » -1 |
| 0.52 | IUPAC digitized pKa | 0 » -1 |
| 0.52 | IUPAC digitized pKa | 0 » -1 |
| 0.52 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 0.52 | OCHEM | 0 » -1 |
| 0.52 | OCHEM | 0 » -1 |
| 0.52 | OCHEM | 0 » -1 |
| 0.52 | OCHEM | 0 » -1 |
| 0.52 | OCHEM | 0 » -1 |
| 0.52 | OCHEM | 0 » -1 |
| 0.57 | OCHEM | 0 » -1 |
| 0.60 | OCHEM | 0 » -1 |
| 0.60 | OCHEM | 0 » -1 |
| 1.10 | IUPAC digitized pKa | 0 » -1 |
| 1.10 | QSARToolbox | 0 » -1 |