Molecule ID: mol28489

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

InChI: InChI=1S/C8H9N3O5S/c1-9-8(12)10-17(15,16)7-4-2-6(3-5-7)11(13)14/h2-5H,1H3,(H2,9,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization