Molecule ID: mol13986

SMILES: O=c1c2[nH]cnc2ncn1O

InChI: InChI=1S/C5H4N4O2/c10-5-3-4(7-1-6-3)8-2-9(5)11/h1-2,11H,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization