Molecule ID: mol15292
SMILES: O=[N+]([O-])c1ccc2c(c1)Cc1cc(O)ccc1-2
InChI: InChI=1S/C13H9NO3/c15-11-2-4-13-9(7-11)5-8-6-10(14(16)17)1-3-12(8)13/h1-4,6-7,15H,5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.94 | QSARToolbox | 0 » -1 |
| 8.94 | QSARToolbox | 0 » -1 |
| 9.01 | Datawarrior | 0 » -1 |
| 9.01 | OCHEM | 0 » -1 |
| 9.08 | QSARToolbox | 0 » -1 |