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: | 71 | |
|---|---|---|
| Name: | Sulindac sulfide | |
| Description: | ||
| Labels: | ||
| CAS: | 32004-67-4 | |
| InChi Code: | InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+ |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.81 |
experimental value |
| 0.554 |
Eq.3: QSAR model to predict placental transfer (Training set) |