Molecule ID: mol12148

SMILES: O=S(=O)(O)c1cc(O)c2c(O)c(N=Nc3ccccc3[As](=O)(O)O)c(S(=O)(=O)O)cc2c1

InChI: InChI=1S/C16H13AsN2O11S2/c20-12-7-9(31(25,26)27)5-8-6-13(32(28,29)30)15(16(21)14(8)12)19-18-11-4-2-1-3-10(11)17(22,23)24/h1-7,20-21H,(H2,22,23,24)(H,25,26,27)(H,28,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
0.07 QSARToolbox 0 » -1
1.16 QSARToolbox -1 » -2
2.72 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization