Molecule ID: mol28699

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

InChI: InChI=1S/C12H17N3O5S/c1-3-4-7-13-12(16)14-21(19,20)10-6-5-9(2)11(8-10)15(17)18/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization