Molecule ID: mol38165

SMILES: CCN(CC)c1ccc2c(c1)Oc1c(O)c(O)cc(C(N)=O)c1N2

InChI: InChI=1S/C17H19N3O4/c1-3-20(4-2)9-5-6-11-13(7-9)24-16-14(19-11)10(17(18)23)8-12(21)15(16)22/h5-8,19,21-22H,3-4H2,1-2H3,(H2,18,23)

Experimental Macro pKa Values

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