Molecule ID: mol3450
SMILES: CCN(CC)CC(C)(C)COC(=O)c1ccccc1
InChI: InChI=1S/C16H25NO2/c1-5-17(6-2)12-16(3,4)13-19-15(18)14-10-8-7-9-11-14/h7-11H,5-6,12-13H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.58 | QSARToolbox | 1 » 0 |
| 9.58 | IUPAC digitized pKa | 1 » 0 |
| 9.58 | OCHEM | 1 » 0 |