Molecule ID: mol25698

SMILES: CNc1nccnc1N

InChI: InChI=1S/C5H8N4/c1-7-5-4(6)8-2-3-9-5/h2-3H,1H3,(H2,6,8)(H,7,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.05 AttenGpKa training set 2 » 1
8.40 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization