Molecule ID: mol37369
SMILES: O=C1C(Br)=C/C(=C(\c2ccccc2S(=O)(=O)O)c2cc(Br)c(O)c(O)c2O)C(O)=C1O
InChI: InChI=1S/C19H12Br2O9S/c20-10-5-8(14(22)18(26)16(10)24)13(7-3-1-2-4-12(7)31(28,29)30)9-6-11(21)17(25)19(27)15(9)23/h1-6,22-24,26-27H,(H,28,29,30)/b13-9-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.39 | QSARToolbox | -1 » -2 |