Molecule ID: mol31045

SMILES: Cc1c(C2(c3cc(Br)c(O)c(C)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1C

InChI: InChI=1S/C23H20Br2O5S/c1-11-13(3)21(26)18(24)9-16(11)23(17-10-19(25)22(27)14(4)12(17)2)15-7-5-6-8-20(15)31(28,29)30-23/h5-10,26-27H,1-4H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.10 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization