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: | 42 | |
|---|---|---|
| Name: | L-Alpha-acetyl-N-normethadol | |
| Description: | ||
| Labels: | ||
| CAS: | 1477-39-0 | |
| InChi Code: | InChI=1/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.799 |
experimental value |
| 0.69871 |
Eq.3: QSAR model to predict placental transfer (Training set) |