Molecule ID: mol30974
SMILES: O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1
InChI: InChI=1S/C16H11N3O6S/c20-15-8-1-10-9-13(26(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)19(21)22/h1-9,20H,(H,23,24,25)/b18-17+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.99 | AttenGpKa training set | 2 » 1 |
| 10.62 | QSARToolbox | -1 » -2 |