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: | 73 | |
|---|---|---|
| Name: | Thiopental | |
| Description: | ||
| Labels: | ||
| CAS: | 76-75-5 | |
| InChi Code: | InChI=1/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.95 |
experimental value |
| 0.79489 |
Eq.3: QSAR model to predict placental transfer (Training set) |