Molecule ID: mol28579

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

InChI: InChI=1S/C12H19N3O3S/c1-2-3-8-14-12(16)15-19(17,18)11-6-4-10(9-13)5-7-11/h4-7H,2-3,8-9,13H2,1H3,(H2,14,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization