Molecule ID: mol20463

SMILES: O=C1OC(C(O)CO)C(O)=C1OCCCOc1no[n+]([O-])c1-c1ccccc1

InChI: InChI=1S/C17H18N2O9/c20-9-11(21)14-13(22)15(17(23)27-14)25-7-4-8-26-16-12(19(24)28-18-16)10-5-2-1-3-6-10/h1-3,5-6,11,14,20-22H,4,7-9H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.44 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization