Molecule ID: mol28747

SMILES: CCCCNC(=O)NS(=O)(=O)c1ccc(C(=O)OCC)cc1

InChI: InChI=1S/C14H20N2O5S/c1-3-5-10-15-14(18)16-22(19,20)12-8-6-11(7-9-12)13(17)21-4-2/h6-9H,3-5,10H2,1-2H3,(H2,15,16,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization