Molecule ID: mol37496

SMILES: O=[N+]([O-])c1ccc(N=Nc2cc3c(O)c(c2)COCCOCCOC3)c([N+](=O)[O-])c1

InChI: InChI=1S/C18H18N4O8/c23-18-12-7-14(8-13(18)11-30-6-4-28-3-5-29-10-12)19-20-16-2-1-15(21(24)25)9-17(16)22(26)27/h1-2,7-9,23H,3-6,10-11H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.60 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization