Molecule ID: mol12244

SMILES: O=[N+]([O-])c1ccc(N=NNc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2)c([As](=O)(O)O)c1

InChI: InChI=1S/C18H15AsN6O8S/c26-19(27,28)17-11-15(25(29)30)7-10-18(17)23-24-22-14-3-1-12(2-4-14)20-21-13-5-8-16(9-6-13)34(31,32)33/h1-11H,(H,22,23)(H2,26,27,28)(H,31,32,33)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.10 IUPAC digitized pKa -1 » -2
8.50 IUPAC digitized pKa -2 » -3
11.70 IUPAC digitized pKa -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization