Molecule ID: mol28706

SMILES: CCCc1ccc(C(=O)NS(=O)(=O)c2ccc(N)cc2)cc1

InChI: InChI=1S/C16H18N2O3S/c1-2-3-12-4-6-13(7-5-12)16(19)18-22(20,21)15-10-8-14(17)9-11-15/h4-11H,2-3,17H2,1H3,(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization