Molecule ID: mol12271

SMILES: O=[N+]([O-])c1cccc2c(N=Nc3c(O)ccc4ccccc34)c(O)cc(S(=O)(=O)O)c12

InChI: InChI=1S/C20H13N3O7S/c24-15-9-8-11-4-1-2-5-12(11)19(15)21-22-20-13-6-3-7-14(23(26)27)18(13)17(10-16(20)25)31(28,29)30/h1-10,24-25H,(H,28,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.20 IUPAC digitized pKa -1 » -2
13.00 IUPAC digitized pKa -2 » -3
13.10 IUPAC digitized pKa -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization