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: | 15 | |
|---|---|---|
| Name: | Biotin | |
| Description: | ||
| Labels: | ||
| CAS: | 58-85-5 | |
| InChi Code: | InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9-/m1/s1 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.35 |
experimental value |
| 0.31382 |
Eq.3: QSAR model to predict placental transfer (Training set) |