Molecule ID: mol25737

SMILES: C[n+]1cnc(O)c(N)c1N

InChI: InChI=1S/C5H8N4O/c1-9-2-8-5(10)3(6)4(9)7/h2H,6H2,1H3,(H2,7,10)/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.60 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization