Molecule ID: mol728
SMILES: Oc1c(Br)cccc1Br
InChI: InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.60 | OCHEM | 0 » -1 |
| 6.60 | QSARToolbox | 0 » -1 |
| 6.60 | Datawarrior | 0 » -1 |
| 6.67 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 6.67 | OCHEM | 0 » -1 |
| 6.67 | OCHEM | 0 » -1 |
| 6.67 | OCHEM | 0 » -1 |
| 6.67 | OCHEM | 0 » -1 |
| 6.67 | OCHEM | 0 » -1 |
| 6.67 | Hunt | 0 » -1 |
| 6.67 | OCHEM | 0 » -1 |
| 6.67 | OCHEM | 0 » -1 |
| 6.67 | OCHEM | 0 » -1 |
| 6.67 | AttenGpKa training set | 0 » -1 |
| 6.67 | QSARToolbox | 0 » -1 |
| 6.67 | QSARToolbox | 0 » -1 |
| 6.67 | IUPAC digitized pKa | 0 » -1 |