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: | 29 | |
|---|---|---|
| Name: | D4T | |
| Description: | ||
| Labels: | ||
| CAS: | 3056-17-5 | |
| InChi Code: | InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.24 |
experimental value |
| 0.36157 |
Eq.3: QSAR model to predict placental transfer (Training set) |