Molecule ID: mol35939

SMILES: O=[N+]([O-])c1cccnc1NN=C(c1ccccn1)c1ccccn1

InChI: InChI=1S/C16H12N6O2/c23-22(24)14-8-5-11-19-16(14)21-20-15(12-6-1-3-9-17-12)13-7-2-4-10-18-13/h1-11H,(H,19,21)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.52 QSARToolbox 3 » 2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization