Molecule ID: mol28790

SMILES: COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1

InChI: InChI=1S/C16H18N2O5S/c1-11-4-7-13(8-5-11)24(20,21)18-16(19)17-14-9-6-12(22-2)10-15(14)23-3/h4-10H,1-3H3,(H2,17,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization