Molecule ID: mol12235
SMILES: O=C(O)C(O)c1cccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)c1
InChI: InChI=1S/C18H14N2O11S2/c21-12-7-11(32(26,27)28)5-9-6-13(33(29,30)31)15(17(23)14(9)12)20-19-10-3-1-2-8(4-10)16(22)18(24)25/h1-7,16,21-23H,(H,24,25)(H,26,27,28)(H,29,30,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | IUPAC digitized pKa | -2 » -3 |
| 9.70 | IUPAC digitized pKa | -4 » -5 |