Molecule ID: mol28763

SMILES: CCCCNC(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1

InChI: InChI=1S/C11H14ClN3O5S/c1-2-3-6-13-11(16)14-21(19,20)8-4-5-9(12)10(7-8)15(17)18/h4-5,7H,2-3,6H2,1H3,(H2,13,14,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization