Molecule ID: mol441
SMILES: Oc1c(Cl)ccc(Cl)c1Cl
InChI: InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.80 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 5.80 | OCHEM | 0 » -1 |
| 5.80 | OCHEM | 0 » -1 |
| 5.80 | Hunt | 0 » -1 |
| 5.80 | OCHEM | 0 » -1 |
| 5.88 | AttenGpKa training set | 0 » -1 |
| 6.12 | QSARToolbox | 0 » -1 |
| 6.12 | QSARToolbox | 0 » -1 |
| 6.12 | OCHEM | 0 » -1 |
| 6.12 | Datawarrior | 0 » -1 |
| 6.12 | OCHEM | 0 » -1 |