Molecule ID: mol438
SMILES: Oc1c(Cl)c(Cl)cc(Cl)c1Cl
InChI: InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.14 | AttenGpKa training set | 0 » -1 |
| 5.14 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 5.14 | OCHEM | 0 » -1 |
| 5.14 | OCHEM | 0 » -1 |
| 5.14 | OCHEM | 0 » -1 |
| 5.14 | OCHEM | 0 » -1 |
| 5.14 | Hunt | 0 » -1 |
| 5.14 | OCHEM | 0 » -1 |
| 5.14 | OCHEM | 0 » -1 |
| 5.44 | QSARToolbox | 0 » -1 |
| 5.44 | QSARToolbox | 0 » -1 |