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: | 6 | |
|---|---|---|
| Name: | 4-Aminohippuric acid (PAH) | |
| Description: | ||
| Labels: | ||
| CAS: | 61-78-9 | |
| InChi Code: | InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13) |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.47 |
experimental value |
| 0.34165 |
Eq.3: QSAR model to predict placental transfer (Training set) |