Molecule ID: mol15574
SMILES: CN(C)CCCCC(=O)Oc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C13H18N2O4/c1-14(2)10-4-3-5-13(16)19-12-8-6-11(7-9-12)15(17)18/h6-9H,3-5,10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.90 | OCHEM | 1 » 0 |
| 9.90 | QSARToolbox | 1 » 0 |
| 9.90 | Datawarrior | 1 » 0 |