Molecule ID: mol408
SMILES: CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
InChI: InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.85 | OCHEM | 1 » 0 |
| 7.85 | AvLiLuMoVe | 1 » 0 |
| 7.85 | Settimo | 1 » 0 |