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: | 14 | |
|---|---|---|
| Name: | AZT | |
| Description: | ||
| Labels: | ||
| CAS: | 30516-87-1 | |
| InChi Code: | InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.29 |
experimental value |
| 0.33117 |
Eq.3: QSAR model to predict placental transfer (Training set) |