Molecule ID: mol31017

SMILES: Cc1cc(O)c(C(C)C)cc1C1(c2cc(C)c(O)c(C(C)C)c2)OS(=O)(=O)c2ccccc21

InChI: InChI=1S/C27H30O5S/c1-15(2)20-14-23(17(5)12-24(20)28)27(19-11-18(6)26(29)21(13-19)16(3)4)22-9-7-8-10-25(22)33(30,31)32-27/h7-16,28-29H,1-6H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.90 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization