Molecule ID: mol26038

SMILES: O=[N+]([O-])c1ccc(-n2nnnc2-c2ccccc2)cc1

InChI: InChI=1S/C13H9N5O2/c19-18(20)12-8-6-11(7-9-12)17-13(14-15-16-17)10-4-2-1-3-5-10/h1-9H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.66 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization