Molecule ID: mol12261

SMILES: CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(C)cc3)c(O)c12

InChI: InChI=1S/C19H17N3O8S2/c1-10-3-5-13(6-4-10)21-22-18-16(32(28,29)30)8-12-7-14(31(25,26)27)9-15(20-11(2)23)17(12)19(18)24/h3-9,24H,1-2H3,(H,20,23)(H,25,26,27)(H,28,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization