Molecule ID: mol1844
SMILES: Oc1ccc(Cl)cc1Cl
InChI: InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.65 | QSARToolbox | 0 » -1 |
| 7.65 | QSARToolbox | 0 » -1 |
| 7.70 | QSARToolbox | 0 » -1 |
| 7.70 | QSARToolbox | 0 » -1 |
| 7.70 | QSARToolbox | 0 » -1 |
| 7.70 | IUPAC digitized pKa | 0 » -1 |
| 7.80 | OCHEM | 0 » -1 |
| 7.80 | Datawarrior | 0 » -1 |
| 7.80 | QSARToolbox | 0 » -1 |
| 7.80 | QSARToolbox | 0 » -1 |
| 7.80 | QSARToolbox | 0 » -1 |
| 7.80 | OCHEM | 0 » -1 |
| 7.85 | QSARToolbox | 0 » -1 |
| 7.85 | QSARToolbox | 0 » -1 |
| 7.85 | QSARToolbox | 0 » -1 |
| 7.85 | QSARToolbox | 0 » -1 |
| 7.85 | QSARToolbox | 0 » -1 |
| 7.85 | QSARToolbox | 0 » -1 |
| 7.85 | OCHEM | 0 » -1 |
| 7.85 | OCHEM | 0 » -1 |
| 7.85 | OCHEM | 0 » -1 |
| 7.87 | QSARToolbox | 0 » -1 |
| 7.87 | QSARToolbox | 0 » -1 |
| 7.88 | AttenGpKa training set | 0 » -1 |
| 7.89 | QSARToolbox | 0 » -1 |
| 7.89 | QSARToolbox | 0 » -1 |
| 7.89 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.89 | OCHEM | 0 » -1 |
| 7.89 | OCHEM | 0 » -1 |
| 7.89 | IUPAC digitized pKa | 0 » -1 |
| 7.89 | OCHEM | 0 » -1 |
| 7.89 | OCHEM | 0 » -1 |
| 7.89 | Hunt | 0 » -1 |
| 7.89 | OCHEM | 0 » -1 |
| 7.90 | Baltruschat ChEMBL | 0 » -1 |
| 7.92 | QSARToolbox | 0 » -1 |
| 7.92 | QSARToolbox | 0 » -1 |
| 8.01 | QSARToolbox | 0 » -1 |
| 8.01 | QSARToolbox | 0 » -1 |
| 8.31 | QSARToolbox | 0 » -1 |
| 8.31 | QSARToolbox | 0 » -1 |
| 9.08 | QSARToolbox | 0 » -1 |
| 9.08 | QSARToolbox | 0 » -1 |