Molecule ID: mol30997

SMILES: Cc1cc(C2(c3cc(C)c(O)c(C)c3)OS(=O)(=O)c3ccccc32)cc(C)c1O

InChI: InChI=1S/C23H22O5S/c1-13-9-17(10-14(2)21(13)24)23(18-11-15(3)22(25)16(4)12-18)19-7-5-6-8-20(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
8.60 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization