Molecule ID: mol36697

SMILES: COc1c(O)cc(Cc2cnc(N)nc2N)cc1O

InChI: InChI=1S/C12H14N4O3/c1-19-10-8(17)3-6(4-9(10)18)2-7-5-15-12(14)16-11(7)13/h3-5,17-18H,2H2,1H3,(H4,13,14,15,16)

Experimental Macro pKa Values

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