Molecule ID: mol12147
SMILES: O=S(=O)(O)c1ccc2c(N=Nc3ccccc3[As](=O)(O)O)c(O)c(S(=O)(=O)O)cc2c1
InChI: InChI=1S/C16H13AsN2O10S2/c20-16-14(31(27,28)29)8-9-7-10(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23/h1-8,20H,(H2,21,22,23)(H,24,25,26)(H,27,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.37 | IUPAC digitized pKa | -1 » -2 |
| 4.35 | IUPAC digitized pKa | -2 » -3 |
| 8.26 | IUPAC digitized pKa | -3 » -4 |
| 11.18 | IUPAC digitized pKa | -4 » -5 |