Molecule ID: mol4649

SMILES: O=[N+]([O-])c1ccc2cncnc2c1

InChI: InChI=1S/C8H5N3O2/c12-11(13)7-2-1-6-4-9-5-10-8(6)3-7/h1-5H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization