Molecule ID: mol28644

SMILES: CCCCNC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C11H15N3O5S/c1-2-3-8-12-11(15)13-20(18,19)10-6-4-9(5-7-10)14(16)17/h4-7H,2-3,8H2,1H3,(H2,12,13,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization