Molecule ID: mol1810
SMILES: Oc1cc(Cl)c(Cl)cc1Cl
InChI: InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.72 | OCHEM | 0 » -1 |
| 6.90 | QSARToolbox | 0 » -1 |
| 6.90 | QSARToolbox | 0 » -1 |
| 6.92 | QSARToolbox | 0 » -1 |
| 6.92 | QSARToolbox | 0 » -1 |
| 6.94 | OCHEM | 0 » -1 |
| 7.00 | Baltruschat ChEMBL | 0 » -1 |
| 7.00 | QSARToolbox | 0 » -1 |
| 7.00 | QSARToolbox | 0 » -1 |
| 7.00 | QSARToolbox | 0 » -1 |
| 7.04 | AttenGpKa training set | 0 » -1 |
| 7.33 | QSARToolbox | 0 » -1 |
| 7.33 | QSARToolbox | 0 » -1 |
| 7.33 | QSARToolbox | 0 » -1 |
| 7.33 | QSARToolbox | 0 » -1 |
| 7.33 | QSARToolbox | 0 » -1 |
| 7.37 | OCHEM | 0 » -1 |
| 7.37 | OCHEM | 0 » -1 |
| 7.37 | Hunt | 0 » -1 |
| 7.37 | OCHEM | 0 » -1 |
| 7.40 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |