Molecule ID: mol28824

SMILES: COc1cc(OC)c(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1Cl

InChI: InChI=1S/C16H17ClN2O5S/c1-10-4-6-11(7-5-10)25(21,22)19-16(20)18-13-8-12(17)14(23-2)9-15(13)24-3/h4-9H,1-3H3,(H2,18,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization