Molecule ID: mol14881
SMILES: CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C12H17N3O3/c1-3-14(4-2)9-12(16)13-10-5-7-11(8-6-10)15(17)18/h5-8H,3-4,9H2,1-2H3,(H,13,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.94 | QSARToolbox | 1 » 0 |
| 8.05 | Datawarrior | 1 » 0 |
| 8.05 | QSARToolbox | 1 » 0 |
| 8.05 | OCHEM | 1 » 0 |