Molecule ID: mol21729
SMILES: Oc1ccc(Cl)c(Cl)c1Cl
InChI: InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 6.50 | OCHEM | 0 » -1 |
| 7.32 | AttenGpKa training set | 0 » -1 |
| 7.59 | QSARToolbox | 0 » -1 |
| 7.59 | QSARToolbox | 0 » -1 |