Molecule ID: mol6696

SMILES: O=[N+]([O-])c1ccccc1-n1ccnc1

InChI: InChI=1S/C9H7N3O2/c13-12(14)9-4-2-1-3-8(9)11-6-5-10-7-11/h1-7H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization