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: | 74 | |
|---|---|---|
| Name: | Ticarcillin | |
| Description: | ||
| Labels: | ||
| CAS: | 34787-01-4 | |
| InChi Code: | InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.037 |
experimental value |
| 0.13223 |
Eq.3: QSAR model to predict placental transfer (Training set) |