Molecule ID: mol10542
SMILES: Cc1ccc(Br)c(O)c(=O)c1
InChI: InChI=1S/C8H7BrO2/c1-5-2-3-6(9)8(11)7(10)4-5/h2-4H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.30 | IUPAC digitized pKa | 0 » -1 |
| 6.30 | Datawarrior | 0 » -1 |
| 6.30 | OCHEM | 0 » -1 |
| 6.30 | OCHEM | 0 » -1 |
| 6.36 | AttenGpKa training set | 0 » -1 |