Molecule ID: mol28581

SMILES: CCCCNC(=O)NS(=O)(=O)c1ccc(OC)cc1

InChI: InChI=1S/C12H18N2O4S/c1-3-4-9-13-12(15)14-19(16,17)11-7-5-10(18-2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization