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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.53 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization