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: | 8 | |
|---|---|---|
| Name: | Acipimox | |
| Description: | ||
| Labels: | ||
| CAS: | 51037-30-0 | |
| InChi Code: | InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10) |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.25 |
experimental value |
| 0.3829 |
Eq.3: QSAR model to predict placental transfer (Training set) |