Molecule ID: mol14636
SMILES: O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccccc1
InChI: InChI=1S/C21H25NO2/c23-20(18-8-3-1-4-9-18)12-7-15-22-16-13-21(24,14-17-22)19-10-5-2-6-11-19/h1-6,8-11,24H,7,12-17H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | OCHEM | 1 » 0 |
| 8.40 | QSARToolbox | 1 » 0 |
| 8.40 | Datawarrior | 1 » 0 |