Molecule ID: mol6778

SMILES: Nc1cnc(C=O)c(N)n1

InChI: InChI=1S/C5H6N4O/c6-4-1-8-3(2-10)5(7)9-4/h1-2H,(H4,6,7,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.57 OCHEM 1 » 0
1.57 AttenGpKa training set 1 » 0
1.57 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization