Molecule ID: mol30996

SMILES: Cc1c(O)ccc(C2(c3ccc(O)c(C)c3C)OS(=O)(=O)c3ccccc32)c1C

InChI: InChI=1S/C23H22O5S/c1-13-15(3)20(24)11-9-17(13)23(18-10-12-21(25)16(4)14(18)2)19-7-5-6-8-22(19)29(26,27)28-23/h5-12,24-25H,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization