Molecule ID: mol8054

SMILES: CC1(C)Nc2nc(N)nc(O)c2N=C1c1ccccc1

InChI: InChI=1S/C14H15N5O/c1-14(2)10(8-6-4-3-5-7-8)16-9-11(19-14)17-13(15)18-12(9)20/h3-7H,1-2H3,(H4,15,17,18,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.89 IUPAC digitized pKa 1 » 0
11.10 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization