Molecule ID: mol4586

SMILES: O=[N+]([O-])c1cnc2ccncc2c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization