Molecule ID: mol12104
SMILES: O=[N+]([O-])c1ccc(N=Nc2ccc(O)c3ccc(S(=O)(=O)O)cc23)cc1
InChI: InChI=1S/C16H11N3O6S/c20-16-8-7-15(14-9-12(26(23,24)25)5-6-13(14)16)18-17-10-1-3-11(4-2-10)19(21)22/h1-9,20H,(H,23,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.08 | QSARToolbox | -1 » -2 |
| 8.08 | IUPAC digitized pKa | -1 » -2 |