Molecule ID: mol15752
SMILES: O=C(O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C10H9NO4/c12-10(13)9-5-8(9)6-2-1-3-7(4-6)11(14)15/h1-4,8-9H,5H2,(H,12,13)/t8-,9+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.41 | QSARToolbox | 0 » -1 |
| 4.41 | Datawarrior | 0 » -1 |
| 4.41 | OCHEM | 0 » -1 |