Molecule ID: mol32517

SMILES: Oc1ccc(N=Nc2ccncc2)cc1

InChI: InChI=1S/C11H9N3O/c15-11-3-1-9(2-4-11)13-14-10-5-7-12-8-6-10/h1-8,15H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization