Molecule ID: mol14922
SMILES: N[C@H]1CCC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C12H14N2O4/c13-11-3-1-2-10(11)12(15)18-9-6-4-8(5-7-9)14(16)17/h4-7,10-11H,1-3,13H2/t10-,11+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.36 | QSARToolbox | 1 » 0 |
| 8.36 | Datawarrior | 1 » 0 |