Molecule ID: mol8114

SMILES: CNc1nc(NC)c2nccnc2n1

InChI: InChI=1S/C8H10N6/c1-9-6-5-7(12-4-3-11-5)14-8(10-2)13-6/h3-4H,1-2H3,(H2,9,10,12,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization