Molecule ID: mol8161

SMILES: CNc1nc(O)c2nc(C)c(O)nc2n1

InChI: InChI=1S/C8H9N5O2/c1-3-6(14)11-5-4(10-3)7(15)13-8(9-2)12-5/h1-2H3,(H3,9,11,12,13,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.15 IUPAC digitized pKa 1 » 0
7.75 IUPAC digitized pKa 0 » -1
9.94 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization