Molecule ID: mol727
SMILES: Oc1ccc(Br)cc1Br
InChI: InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.74 | QSARToolbox | 0 » -1 |
| 7.77 | Datawarrior | 0 » -1 |
| 7.77 | OCHEM | 0 » -1 |
| 7.79 | QSARToolbox | 0 » -1 |
| 7.79 | QSARToolbox | 0 » -1 |
| 7.79 | IUPAC digitized pKa | 0 » -1 |
| 7.79 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.79 | OCHEM | 0 » -1 |
| 7.79 | OCHEM | 0 » -1 |
| 7.79 | OCHEM | 0 » -1 |
| 7.79 | OCHEM | 0 » -1 |
| 7.79 | OCHEM | 0 » -1 |
| 7.79 | OCHEM | 0 » -1 |
| 7.79 | OCHEM | 0 » -1 |
| 7.79 | OCHEM | 0 » -1 |
| 7.79 | AttenGpKa training set | 0 » -1 |
| 7.80 | QSARToolbox | 0 » -1 |
| 7.84 | OCHEM | 0 » -1 |
| 7.84 | Hunt | 0 » -1 |