Molecule ID: mol707
SMILES: Oc1c(Br)c(Br)c(Br)c(Br)c1Br
InChI: InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | OCHEM | 0 » -1 |
| 4.56 | AttenGpKa training set | 0 » -1 |
| 4.62 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.62 | OCHEM | 0 » -1 |
| 4.62 | OCHEM | 0 » -1 |
| 4.62 | OCHEM | 0 » -1 |
| 4.62 | OCHEM | 0 » -1 |
| 4.62 | OCHEM | 0 » -1 |
| 4.62 | Hunt | 0 » -1 |
| 4.62 | OCHEM | 0 » -1 |
| 4.62 | OCHEM | 0 » -1 |