Molecule ID: mol14861
SMILES: CN(C)CCCC(=O)Oc1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C12H16N2O4/c1-13(2)8-4-7-12(15)18-11-6-3-5-10(9-11)14(16)17/h3,5-6,9H,4,7-8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.82 | QSARToolbox | 1 » 0 |
| 9.82 | OCHEM | 1 » 0 |
| 9.82 | Datawarrior | 1 » 0 |