Molecule ID: mol723
SMILES: Oc1c(F)c(F)c(F)c(F)c1F
InChI: InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | IUPAC digitized pKa | 0 » -1 |
| 5.20 | OCHEM | 0 » -1 |
| 5.30 | QSARToolbox | 0 » -1 |
| 5.30 | QSARToolbox | 0 » -1 |
| 5.30 | QSARToolbox | 0 » -1 |
| 5.30 | QSARToolbox | 0 » -1 |
| 5.37 | OCHEM | 0 » -1 |
| 5.38 | OCHEM | 0 » -1 |
| 5.51 | AttenGpKa training set | 0 » -1 |
| 5.53 | IUPAC digitized pKa | 0 » -1 |
| 5.53 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 5.53 | OCHEM | 0 » -1 |
| 5.53 | OCHEM | 0 » -1 |
| 5.53 | OCHEM | 0 » -1 |
| 5.53 | OCHEM | 0 » -1 |
| 5.53 | QSARToolbox | 0 » -1 |
| 5.53 | QSARToolbox | 0 » -1 |
| 5.53 | QSARToolbox | 0 » -1 |
| 5.60 | OCHEM | 0 » -1 |
| 5.60 | Hunt | 0 » -1 |