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:
35
Name:
Ethanol
Description:
Labels:
CAS:
64-17-5
InChi Code:
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
Properties
CI: Clearance Index
Value
Source or prediction
1.07
experimental value
0.74323
Eq.3: QSAR model to predict placental transfer (Training set)