Molecule ID: mol28505

SMILES: O=[N+]([O-])c1ccc(OS(=O)(=O)O)c([N+](=O)[O-])c1

InChI: InChI=1S/C6H4N2O8S/c9-7(10)4-1-2-6(16-17(13,14)15)5(3-4)8(11)12/h1-3H,(H,13,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-5.66 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization