Molecule ID: mol4831

SMILES: CNc1ncnc2nccnc12

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization