Molecule ID: mol31033

SMILES: Cc1c(C2(c3cc(Cl)c(O)c(Cl)c3C)OS(=O)(=O)c3ccccc32)cc(Cl)c(O)c1Cl

InChI: InChI=1S/C21H14Cl4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)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
4.80 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization