Molecule ID: mol10543
SMILES: Cc1cc(=O)c(O)ccc1Br
InChI: InChI=1S/C8H7BrO2/c1-5-4-8(11)7(10)3-2-6(5)9/h2-4H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.60 | OCHEM | 0 » -1 |
| 6.60 | IUPAC digitized pKa | 0 » -1 |
| 6.60 | Datawarrior | 0 » -1 |
| 6.60 | OCHEM | 0 » -1 |
| 6.60 | AttenGpKa training set | 0 » -1 |