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: | 64 | |
|---|---|---|
| Name: | Salbutamol | |
| Description: | ||
| Labels: | ||
| CAS: | 18559-94-9 | |
| InChi Code: | InChI=1/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.1 |
experimental value |
| 0.39011 |
Eq.3: QSAR model to predict placental transfer (Training set) |