Molecule ID: mol18763
SMILES: CCc1oc2ccccc2c1C(=O)Cc1cc(Br)c(O)c(Br)c1
InChI: InChI=1S/C18H14Br2O3/c1-2-15-17(11-5-3-4-6-16(11)23-15)14(21)9-10-7-12(19)18(22)13(20)8-10/h3-8,22H,2,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | OCHEM | 0 » -1 |
| 8.60 | Baltruschat ChEMBL | 0 » -1 |