Molecule ID: mol8045

SMILES: NC1=Nc2nccnc2CN1

InChI: InChI=1S/C6H7N5/c7-6-10-3-4-5(11-6)9-2-1-8-4/h1-2H,3H2,(H3,7,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization