Molecule ID: mol33984

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1N

InChI: InChI=1S/C13H17N5O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3,14H2,1-2H3,(H4,15,16,17,18)

Experimental Macro pKa Values

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