Molecule ID: mol2547
SMILES: O=C(O)C(F)(F)Cl
InChI: InChI=1S/C2HClF2O2/c3-2(4,5)1(6)7/h(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.42 | IUPAC digitized pKa | 0 » -1 |
| 0.46 | IUPAC digitized pKa | 0 » -1 |
| 0.46 | IUPAC digitized pKa | 0 » -1 |
| 0.46 | OCHEM | 0 » -1 |
| 0.46 | OCHEM | 0 » -1 |
| 0.46 | Hunt | 0 » -1 |
| 0.46 | OCHEM | 0 » -1 |
| 0.46 | AttenGpKa training set | 0 » -1 |
| 0.48 | IUPAC digitized pKa | 0 » -1 |
| 0.49 | IUPAC digitized pKa | 0 » -1 |
| 0.51 | IUPAC digitized pKa | 0 » -1 |
| 0.54 | IUPAC digitized pKa | 0 » -1 |
| 0.56 | IUPAC digitized pKa | 0 » -1 |