Molecule ID: mol7643

SMILES: Cn1nc(N)c(C(N)=O)n1

InChI: InChI=1S/C4H7N5O/c1-9-7-2(4(6)10)3(5)8-9/h1H3,(H2,5,8)(H2,6,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.10 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization