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: | 32 | |
|---|---|---|
| Name: | Diclofenac | |
| Description: | ||
| Labels: | ||
| CAS: | 15307-86-5 | |
| InChi Code: | InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.786 |
experimental value |
| 0.72565 |
Eq.3: QSAR model to predict placental transfer (Training set) |