Molecule ID: mol7094

SMILES: CNc1ccnc(N)n1

InChI: InChI=1S/C5H8N4/c1-7-4-2-3-8-5(6)9-4/h2-3H,1H3,(H3,6,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization