Molecule ID: mol37070

SMILES: COc1cc(-c2ncn(CCO)n2)c(N)c(OC)c1OC

InChI: InChI=1S/C13H18N4O4/c1-19-9-6-8(10(14)12(21-3)11(9)20-2)13-15-7-17(16-13)4-5-18/h6-7,18H,4-5,14H2,1-3H3

Experimental Macro pKa Values

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