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: | 30 | |
|---|---|---|
| Name: | DDE | |
| Description: | ||
| Labels: | ||
| CAS: | 3547-04-4 | |
| InChi Code: | InChI=1S/C14H12Cl2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10H,1H3 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.61 |
experimental value |
| 0.847 |
Eq.3: QSAR model to predict placental transfer (Training set) |