Molecule ID: mol25892

SMILES: Cc1ccc(-n2cnnn2)cc1

InChI: InChI=1S/C8H8N4/c1-7-2-4-8(5-3-7)12-6-9-10-11-12/h2-6H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.18 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization