Molecule ID: mol7930

SMILES: COc1ccc2nc(N)[n+]([O-])cc2c1

InChI: InChI=1S/C9H9N3O2/c1-14-7-2-3-8-6(4-7)5-12(13)9(10)11-8/h2-5H,1H3,(H2,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization