Molecule ID: mol4071

SMILES: Cn1ccc(=N)nc1N

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization