Molecule ID: mol37668

SMILES: CC(C)c1cc(C2(c3cc(Br)c(O)c(C(C)C)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O

InChI: InChI=1S/C25H24Br2O5S/c1-13(2)17-9-15(11-20(26)23(17)28)25(16-10-18(14(3)4)24(29)21(27)12-16)19-7-5-6-8-22(19)33(30,31)32-25/h5-14,28-29H,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization