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: | 54 | |
|---|---|---|
| Name: | Pyridoxal | |
| Description: | ||
| Labels: | ||
| CAS: | 66-72-8 | |
| InChi Code: | InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.369 |
experimental value |
| 0.39577 |
Eq.3: QSAR model to predict placental transfer (Training set) |