Molecule ID: mol35458
SMILES: Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)cc(Br)c1O
InChI: InChI=1S/C21H12Br2Cl4O5S/c1-7-3-9(5-11(22)18(7)28)21(10-4-8(2)19(29)12(23)6-10)13-14(24)15(25)16(26)17(27)20(13)33(30,31)32-21/h3-6,28-29H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.64 | QSARToolbox | 0 » -1 |