Molecule ID: mol435
SMILES: OCC(Cl)Cl
InChI: InChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.89 | IUPAC digitized pKa | 0 » -1 |
| 12.89 | OCHEM | 0 » -1 |
| 12.89 | Hunt | 0 » -1 |
| 12.89 | OCHEM | 0 » -1 |
| 12.89 | AttenGpKa training set | 0 » -1 |
| 12.89 | QSARToolbox | 0 » -1 |
| 12.90 | QSARToolbox | 0 » -1 |
| 12.90 | QSARToolbox | 0 » -1 |
| 13.18 | Datawarrior | 0 » -1 |
| 13.18 | OCHEM | 0 » -1 |
| 13.18 | QSARToolbox | 0 » -1 |