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: | 66 | |
|---|---|---|
| Name: | S-Ketoprofen | |
| Description: | ||
| Labels: | ||
| CAS: | 22161-81-5 | |
| InChi Code: | InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.39 |
experimental value |
| 0.43525 |
Eq.3: QSAR model to predict placental transfer (Training set) |