Molecule ID: mol21253
SMILES: CC1=C(O)CC(Cc2ccc(Br)cc2)C1=O
InChI: InChI=1S/C13H13BrO2/c1-8-12(15)7-10(13(8)16)6-9-2-4-11(14)5-3-9/h2-5,10,15H,6-7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.24 | OCHEM | 0 » -1 |
| 4.24 | Baltruschat ChEMBL | 0 » -1 |