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:	51
	Name:	Nicotine
	Description:
	Labels:
	CAS:	54-11-5
	InChi Code:	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1

Properties

CI: Clearance Index

Value	Source or prediction
0.93	experimental value
0.52932	Eq.3: QSAR model to predict placental transfer (Training set)