Molecule ID: mol12107
SMILES: O=[N+]([O-])c1cccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)c1
InChI: InChI=1S/C16H11N3O10S2/c20-12-7-11(30(24,25)26)4-8-5-13(31(27,28)29)15(16(21)14(8)12)18-17-9-2-1-3-10(6-9)19(22)23/h1-7,20-21H,(H,24,25,26)(H,27,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | IUPAC digitized pKa | -2 » -3 |