Molecule ID: mol10499
SMILES: Cc1ccc(Br)c(O)c(=O)c1Br
InChI: InChI=1S/C8H6Br2O2/c1-4-2-3-5(9)7(11)8(12)6(4)10/h2-3H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.17 | OCHEM | 0 » -1 |
| 5.59 | IUPAC digitized pKa | 0 » -1 |
| 5.59 | OCHEM | 0 » -1 |
| 5.59 | AttenGpKa training set | 0 » -1 |