Molecule ID: mol4810

SMILES: NNc1ncnc2nccnc12

InChI: InChI=1S/C6H6N6/c7-12-6-4-5(10-3-11-6)9-2-1-8-4/h1-3H,7H2,(H,9,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization