Molecule ID: mol7136

SMILES: O=[N+]([O-])c1cnc(Cc2ccccc2)nc1

InChI: InChI=1S/C11H9N3O2/c15-14(16)10-7-12-11(13-8-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.51 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization