Molecule ID: mol28788

SMILES: Cc1c(C)c(C)c(C(=O)NS(=O)(=O)c2ccc(N)cc2)c(C)c1C

InChI: InChI=1S/C18H22N2O3S/c1-10-11(2)13(4)17(14(5)12(10)3)18(21)20-24(22,23)16-8-6-15(19)7-9-16/h6-9H,19H2,1-5H3,(H,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization