Molecule ID: mol6697

SMILES: O=[N+]([O-])c1cccc(-n2ccnc2)c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization