Molecule ID: mol8157

SMILES: Cn1cnc2nc(=N)cnc-2c1

InChI: InChI=1S/C7H7N5/c1-12-3-5-7(10-4-12)11-6(8)2-9-5/h2-4,8H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization