Molecule ID: mol3451
SMILES: CCN(CC)CCCOC(=O)C=Cc1ccccc1
InChI: InChI=1S/C16H23NO2/c1-3-17(4-2)13-8-14-19-16(18)12-11-15-9-6-5-7-10-15/h5-7,9-12H,3-4,8,13-14H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.71 | IUPAC digitized pKa | 1 » 0 |
| 9.71 | OCHEM | 1 » 0 |
| 9.71 | QSARToolbox | 1 » 0 |