Molecule ID: mol15486
SMILES: CCCC(=O)C1(c2cccc(O)c2)CCN(C)CC1
InChI: InChI=1S/C16H23NO2/c1-3-5-15(19)16(8-10-17(2)11-9-16)13-6-4-7-14(18)12-13/h4,6-7,12,18H,3,5,8-11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.62 | QSARToolbox | 1 » 0 |
| 8.62 | OCHEM | 1 » 0 |
| 8.62 | Datawarrior | 1 » 0 |