Molecule ID: mol8159

SMILES: Cc1cnc2c(n1)CNC=N2

InChI: InChI=1S/C7H8N4/c1-5-2-9-7-6(11-5)3-8-4-10-7/h2,4H,3H2,1H3,(H,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization