Molecule ID: mol21725
SMILES: Oc1c(Br)cc(Br)cc1Br
InChI: InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | QSARToolbox | 0 » -1 |
| 6.08 | OCHEM | 0 » -1 |
| 6.08 | OCHEM | 0 » -1 |
| 6.14 | AttenGpKa training set | 0 » -1 |
| 6.50 | QSARToolbox | 0 » -1 |
| 6.80 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 6.80 | OCHEM | 0 » -1 |
| 6.80 | OCHEM | 0 » -1 |
| 6.80 | OCHEM | 0 » -1 |
| 6.80 | OCHEM | 0 » -1 |
| 6.80 | OCHEM | 0 » -1 |
| 6.80 | OCHEM | 0 » -1 |
| 6.80 | QSARToolbox | 0 » -1 |