Molecule ID: mol725
SMILES: Oc1cccc(Cl)c1Cl
InChI: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.44 | OCHEM | 0 » -1 |
| 7.44 | OCHEM | 0 » -1 |
| 7.44 | QSARToolbox | 0 » -1 |
| 7.70 | IUPAC digitized pKa | 0 » -1 |
| 7.70 | QSARToolbox | 0 » -1 |
| 7.70 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.70 | OCHEM | 0 » -1 |
| 7.70 | OCHEM | 0 » -1 |
| 7.70 | OCHEM | 0 » -1 |
| 7.70 | Hunt | 0 » -1 |
| 7.70 | OCHEM | 0 » -1 |
| 7.70 | OCHEM | 0 » -1 |
| 7.70 | OCHEM | 0 » -1 |
| 7.71 | AttenGpKa training set | 0 » -1 |
| 7.71 | Datawarrior | 0 » -1 |
| 7.71 | OCHEM | 0 » -1 |
| 7.71 | OCHEM | 0 » -1 |
| 7.71 | QSARToolbox | 0 » -1 |
| 7.71 | QSARToolbox | 0 » -1 |
| 7.76 | OCHEM | 0 » -1 |