Molecule ID: mol34033

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OC)n1

InChI: InChI=1S/C12H15N5O2/c1-18-9-4-7(5-10(16-9)19-2)3-8-6-15-12(14)17-11(8)13/h4-6H,3H2,1-2H3,(H4,13,14,15,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.05 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization