Molecule ID: mol7060

SMILES: CCNc1ncnc(O)c1N

InChI: InChI=1S/C6H10N4O/c1-2-8-5-4(7)6(11)10-3-9-5/h3H,2,7H2,1H3,(H2,8,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization