Molecule ID: mol24071

SMILES: O=[N+]([O-])c1ccc(Nc2cccc([N+](=O)[O-])c2)cc1

InChI: InChI=1S/C12H9N3O4/c16-14(17)11-6-4-9(5-7-11)13-10-2-1-3-12(8-10)15(18)19/h1-8,13H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-5.20 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization