Molecule ID: mol35473
SMILES: Cc1cc(C2(c3ccc(O)c(C)c3)OS(=O)(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)ccc1O
InChI: InChI=1S/C21H14Cl4O5S/c1-9-7-11(3-5-13(9)26)21(12-4-6-14(27)10(2)8-12)15-16(22)17(23)18(24)19(25)20(15)31(28,29)30-21/h3-8,26-27H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.53 | QSARToolbox | 0 » -1 |