Molecule ID: mol409
SMILES: CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1
InChI: InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | OCHEM | 1 » 0 |
| 9.00 | AvLiLuMoVe | 1 » 0 |
| 9.00 | Settimo | 1 » 0 |