Molecule ID: mol14752
SMILES: CCN(CC)CCOC(=O)c1ccc2ccccc2c1
InChI: InChI=1S/C17H21NO2/c1-3-18(4-2)11-12-20-17(19)16-10-9-14-7-5-6-8-15(14)13-16/h5-10,13H,3-4,11-12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.52 | QSARToolbox | 1 » 0 |
| 7.52 | Datawarrior | 1 » 0 |
| 7.52 | OCHEM | 1 » 0 |