Molecule ID: mol2262
SMILES: OCC(Cl)(Cl)Cl
InChI: InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.20 | QSARToolbox | 0 » -1 |
| 12.24 | QSARToolbox | 0 » -1 |
| 12.24 | QSARToolbox | 0 » -1 |
| 12.24 | IUPAC digitized pKa | 0 » -1 |
| 12.24 | OCHEM | 0 » -1 |
| 12.24 | Hunt | 0 » -1 |
| 12.24 | AttenGpKa training set | 0 » -1 |
| 12.25 | OCHEM | 0 » -1 |
| 12.25 | IUPAC digitized pKa | 0 » -1 |
| 12.25 | QSARToolbox | 0 » -1 |
| 12.44 | QSARToolbox | 0 » -1 |