Molecule ID: mol14431
SMILES: CC(C)(/C=C/C(=O)O)c1cc(Br)ccc1O
InChI: InChI=1S/C12H13BrO3/c1-12(2,6-5-11(15)16)9-7-8(13)3-4-10(9)14/h3-7,14H,1-2H3,(H,15,16)/b6-5+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.46 | Datawarrior | 0 » -1 |
| 10.00 | Datawarrior | -1 » -2 |