Molecule ID: mol14758
SMILES: O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)c1ccccc1
InChI: InChI=1S/C14H9NO5/c16-13(9-4-2-1-3-5-9)11-7-6-10(15(19)20)8-12(11)14(17)18/h1-8H,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.86 | QSARToolbox | 0 » -1 |
| 2.86 | OCHEM | 0 » -1 |
| 2.86 | Datawarrior | 0 » -1 |