Molecule ID: mol9856
SMILES: Oc1ccc(Br)cc1Cl
InChI: InChI=1S/C6H4BrClO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.64 | QSARToolbox | 0 » -1 |
| 7.64 | QSARToolbox | 0 » -1 |
| 7.64 | IUPAC digitized pKa | 0 » -1 |
| 7.64 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.64 | OCHEM | 0 » -1 |
| 7.64 | AttenGpKa training set | 0 » -1 |