Molecule ID: mol1629
SMILES: CC(C)c1cccc(=O)c(O)c1Br
InChI: InChI=1S/C10H11BrO2/c1-6(2)7-4-3-5-8(12)10(13)9(7)11/h3-6H,1-2H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.68 | Hunt | 0 » -1 |
| 6.68 | OCHEM | 0 » -1 |
| 6.68 | Datawarrior | 0 » -1 |
| 6.68 | AttenGpKa training set | 0 » -1 |