Molecule ID: mol2009
SMILES: Oc1c(Cl)cc(Cl)cc1Cl
InChI: InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.99 | OCHEM | 0 » -1 |
| 6.10 | QSARToolbox | 0 » -1 |
| 6.10 | QSARToolbox | 0 » -1 |
| 6.15 | OCHEM | 0 » -1 |
| 6.15 | QSARToolbox | 0 » -1 |
| 6.20 | QSARToolbox | 0 » -1 |
| 6.20 | QSARToolbox | 0 » -1 |
| 6.20 | Baltruschat ChEMBL | 0 » -1 |
| 6.20 | AttenGpKa training set | 0 » -1 |
| 6.23 | IUPAC digitized pKa | 0 » -1 |
| 6.23 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 6.23 | OCHEM | 0 » -1 |
| 6.23 | OCHEM | 0 » -1 |
| 6.23 | OCHEM | 0 » -1 |
| 6.23 | Hunt | 0 » -1 |
| 6.23 | OCHEM | 0 » -1 |
| 6.23 | OCHEM | 0 » -1 |
| 6.23 | OCHEM | 0 » -1 |
| 6.23 | QSARToolbox | 0 » -1 |
| 6.23 | QSARToolbox | 0 » -1 |
| 6.40 | QSARToolbox | 0 » -1 |
| 6.40 | QSARToolbox | 0 » -1 |
| 6.42 | QSARToolbox | 0 » -1 |
| 6.42 | QSARToolbox | 0 » -1 |
| 6.42 | QSARToolbox | 0 » -1 |
| 6.42 | QSARToolbox | 0 » -1 |
| 7.35 | QSARToolbox | 0 » -1 |
| 7.35 | QSARToolbox | 0 » -1 |
| 8.16 | QSARToolbox | 0 » -1 |
| 8.16 | QSARToolbox | 0 » -1 |
| 9.07 | QSARToolbox | 0 » -1 |
| 9.07 | QSARToolbox | 0 » -1 |
| 10.07 | QSARToolbox | 0 » -1 |
| 10.07 | QSARToolbox | 0 » -1 |