Molecule ID: mol8079

SMILES: CCOc1cnc2nc(N)nc(O)c2n1

InChI: InChI=1S/C8H9N5O2/c1-2-15-4-3-10-6-5(11-4)7(14)13-8(9)12-6/h3H,2H2,1H3,(H3,9,10,12,13,14)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.52 IUPAC digitized pKa 1 » 0
8.23 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization