Molecule ID: mol14862
SMILES: CN(C)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C12H16N2O4/c1-13(2)9-3-4-12(15)18-11-7-5-10(6-8-11)14(16)17/h5-8H,3-4,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.60 | Datawarrior | 1 » 0 |
| 9.60 | QSARToolbox | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |