Molecule ID: mol8128

SMILES: Nc1nc(N)c2[nH]c(=O)cnc2n1

InChI: InChI=1S/C6H6N6O/c7-4-3-5(12-6(8)11-4)9-1-2(13)10-3/h1H,(H,10,13)(H4,7,8,9,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.49 IUPAC digitized pKa 1 » 0
7.10 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization