Molecule ID: mol8138

SMILES: C1=Nc2nccnc2CN1

InChI: InChI=1S/C6H6N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-2,4H,3H2,(H,7,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.36 IUPAC digitized pKa 1 » 0
6.36 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization