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: | 53 | |
|---|---|---|
| Name: | Propofol | |
| Description: | ||
| Labels: | ||
| CAS: | 2078-54-8 | |
| InChi Code: | InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.51 |
experimental value |
| 0.51923 |
Eq.3: QSAR model to predict placental transfer (Training set) |