Molecule ID: mol12127
SMILES: O=S(=O)(O)c1cccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)c1
InChI: InChI=1S/C16H12N2O11S3/c19-12-7-11(31(24,25)26)4-8-5-13(32(27,28)29)15(16(20)14(8)12)18-17-9-2-1-3-10(6-9)30(21,22)23/h1-7,19-20H,(H,21,22,23)(H,24,25,26)(H,27,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.85 | IUPAC digitized pKa | -4 » -5 |