Molecule ID: mol14759
SMILES: O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1C(=O)O
InChI: InChI=1S/C14H9NO5/c16-13(9-5-2-1-3-6-9)10-7-4-8-11(15(19)20)12(10)14(17)18/h1-8H,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.39 | Datawarrior | 0 » -1 |
| 2.39 | OCHEM | 0 » -1 |
| 2.39 | QSARToolbox | 0 » -1 |