Molecule ID: mol12105
SMILES: O=[N+]([O-])c1cc(S(=O)(=O)O)cc(N=Nc2cc(O)cc3ccccc23)c1O
InChI: InChI=1S/C16H11N3O7S/c20-10-5-9-3-1-2-4-12(9)13(6-10)17-18-14-7-11(27(24,25)26)8-15(16(14)21)19(22)23/h1-8,20-21H,(H,24,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.83 | IUPAC digitized pKa | 0 » -1 |
| 10.53 | IUPAC digitized pKa | -2 » -3 |
| 10.70 | IUPAC digitized pKa | -2 » -3 |