Molecule ID: mol8092

SMILES: CCCOc1cnc2nc(N)nc(O)c2n1

InChI: InChI=1S/C9H11N5O2/c1-2-3-16-5-4-11-7-6(12-5)8(15)14-9(10)13-7/h4H,2-3H2,1H3,(H3,10,11,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization