Molecule ID: mol4885

SMILES: ONc1ncnc2nc[nH]c12

InChI: InChI=1S/C5H5N5O/c11-10-5-3-4(7-1-6-3)8-2-9-5/h1-2,11H,(H2,6,7,8,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.80 Datawarrior 1 » 0
3.80 OCHEM 1 » 0
9.83 OCHEM -1 » -2
9.83 Datawarrior -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization