Molecule ID: mol37066

SMILES: COc1cc(OC)c(OC)cc1Cc1cnc(N)nc1N

InChI: InChI=1S/C14H18N4O3/c1-19-10-6-12(21-3)11(20-2)5-8(10)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(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