Molecule ID: mol1631
SMILES: CC(C)c1ccc(Br)c(=O)c(O)c1
InChI: InChI=1S/C10H11BrO2/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | Hunt | 0 » -1 |
| 6.28 | Datawarrior | 0 » -1 |
| 6.28 | OCHEM | 0 » -1 |