Molecule ID: mol271
SMILES: CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC1C(F)(F)F
InChI: InChI=1S/C15H18F3NO2/c1-2-21-14(20)12-9-19(10-13(12)15(16,17)18)8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13?/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.40 | OCHEM | 1 » 0 |
| 5.40 | AvLiLuMoVe | 1 » 0 |
| 5.40 | Settimo | 1 » 0 |