Molecule ID: mol15400
SMILES: O=C(CCNCCC(=O)c1ccccc1)c1ccccc1
InChI: InChI=1S/C18H19NO2/c20-17(15-7-3-1-4-8-15)11-13-19-14-12-18(21)16-9-5-2-6-10-16/h1-10,19H,11-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | QSARToolbox | 1 » 0 |
| 8.69 | OCHEM | 1 » 0 |
| 8.69 | Datawarrior | 1 » 0 |