Molecule ID: mol34945
SMILES: CC1=C/C(=C(\c2cc(C)c(O)c(Br)c2)c2ccccc2S(=O)(=O)O)C=C(Br)C1=O
InChI: InChI=1S/C21H16Br2O5S/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28/h3-10,24H,1-2H3,(H,26,27,28)/b19-14-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.13 | QSARToolbox | -1 » -2 |