Molecule ID: mol18765
SMILES: CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChI: InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | OCHEM | 0 » -1 |
| 4.50 | Baltruschat ChEMBL | 0 » -1 |