Molecule ID: mol25738

SMILES: C[n+]1cnc(N)c(N)c1O

InChI: InChI=1S/C5H8N4O/c1-9-2-8-4(7)3(6)5(9)10/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
3.46 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization