Molecule ID: mol12103

SMILES: O=[N+]([O-])c1cccc(N=Nc2ccc(O)c3ccc(S(=O)(=O)O)cc23)c1

InChI: InChI=1S/C16H11N3O6S/c20-16-7-6-15(14-9-12(26(23,24)25)4-5-13(14)16)18-17-10-2-1-3-11(8-10)19(21)22/h1-9,20H,(H,23,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.47 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization