Molecule ID: mol7291

SMILES: Nc1ncc(NC=O)c(N)n1

InChI: InChI=1S/C5H7N5O/c6-4-3(9-2-11)1-8-5(7)10-4/h1-2H,(H,9,11)(H4,6,7,8,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.03 IUPAC digitized pKa 1 » 0
6.03 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization