Molecule ID: mol4464

SMILES: O=[N+]([O-])c1ccc2ncccc2c1

InChI: InChI=1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization