Molecule ID: mol14951
SMILES: CCC(=O)C1(c2cccc(O)c2)CCN(C)CC1
InChI: InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.67 | Datawarrior | 1 » 0 |
| 8.67 | QSARToolbox | 1 » 0 |
| 8.67 | OCHEM | 1 » 0 |