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: | 41 | |
|---|---|---|
| Name: | Indomethacin | |
| Description: | ||
| Labels: | ||
| CAS: | 53-86-1 | |
| InChi Code: | InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.72 |
experimental value |
| 0.53942 |
Eq.3: QSAR model to predict placental transfer (Training set) |