Molecule ID: mol28443

SMILES: NS(=O)(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

InChI: InChI=1S/C6H5N3O6S/c7-16(14,15)6-2-4(8(10)11)1-5(3-6)9(12)13/h1-3H,(H2,7,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization