Molecule ID: mol21252
SMILES: O=C1C=C(O)CC1Cc1ccc(Br)cc1
InChI: InChI=1S/C12H11BrO2/c13-10-3-1-8(2-4-10)5-9-6-11(14)7-12(9)15/h1-4,7,9,14H,5-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.96 | OCHEM | 0 » -1 |
| 3.96 | Baltruschat ChEMBL | 0 » -1 |