Molecule ID: mol18345
SMILES: CCOC(=O)C1(c2ccccc2)CCN(CC(F)F)CC1
InChI: InChI=1S/C16H21F2NO2/c1-2-21-15(20)16(13-6-4-3-5-7-13)8-10-19(11-9-16)12-14(17)18/h3-7,14H,2,8-12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.23 | OCHEM | 1 » 0 |
| 5.23 | Baltruschat ChEMBL | 1 » 0 |
| 5.23 | QSARToolbox | 1 » 0 |