Molecule ID: mol4465

SMILES: O=[N+]([O-])c1ccc2cccnc2c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization