Molecule ID: mol13981

SMILES: c1ccc(-n2cnnn2)cc1

InChI: InChI=1S/C7H6N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h1-6H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.41 OCHEM 2 » 1
-3.41 Datawarrior 2 » 1
-3.41 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization