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: | 57 | |
|---|---|---|
| Name: | Pyrimethamine | |
| Description: | ||
| Labels: | ||
| CAS: | 58-14-0 | |
| InChi Code: | InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.74056 |
Eq.3: QSAR model to predict placental transfer (Training set) |