Molecule ID: mol33743
SMILES: Cc1c(C2(c3cc(C(C)C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1Br
InChI: InChI=1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.21 | QSARToolbox | 0 » -1 |
| 7.30 | QSARToolbox | 0 » -1 |
| 7.34 | QSARToolbox | 0 » -1 |