Hewitt, M.; Madden, J.C.; Rowe, P.H.; Cronin, M.T.D. Structure-based modelling in reproductive toxicology: (Q)SARs for the placental barrier. SAR QSAR Environ. Res. 2007, 18, 57-76.
Compound
| ID: | 46 | |
|---|---|---|
| Name: | Mefloquine | |
| Description: | ||
| Labels: | ||
| CAS: | 53230-10-7 | |
| InChi Code: | InChI=1/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/s2 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 1.57 |
experimental value |
| 1.29193 |
Eq.3: QSAR model to predict placental transfer (Training set) |