Molecule ID: mol7254

SMILES: NC(=O)c1cc(N)nc(N)n1

InChI: InChI=1S/C5H7N5O/c6-3-1-2(4(7)11)9-5(8)10-3/h1H,(H2,7,11)(H4,6,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization