Molecule ID: mol6771

SMILES: CNc1nc(N)cnc1C(N)=O

InChI: InChI=1S/C6H9N5O/c1-9-6-4(5(8)12)10-2-3(7)11-6/h2H,1H3,(H2,8,12)(H3,7,9,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization