Molecule ID: mol400
SMILES: CC1CCC(N2CCN(c3ccccc3F)CC2)CC1
InChI: InChI=1S/C17H25FN2/c1-14-6-8-15(9-7-14)19-10-12-20(13-11-19)17-5-3-2-4-16(17)18/h2-5,14-15H,6-13H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | OCHEM | 1 » 0 |
| 7.40 | AvLiLuMoVe | 1 » 0 |
| 7.40 | Settimo | 1 » 0 |