Molecule ID: mol35656

SMILES: CCN(CC)c1ccc2nc3c(C(N)=O)cc(O)c(O)c3[o+]c2c1

InChI: InChI=1S/C17H17N3O4/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/h5-8H,3-4H2,1-2H3,(H3-,18,19,21,22,23)/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.10 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization