Molecule ID: mol8089

SMILES: COc1cnc2nc(N)nc(O)c2n1

InChI: InChI=1S/C7H7N5O2/c1-14-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H,1H3,(H3,8,9,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization