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:	22
	Name:	Cimetidine
	Description:
	Labels:
	CAS:	51481-61-9
	InChi Code:	InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)

Properties

CI: Clearance Index

Value	Source or prediction
0.299	experimental value
0.28809	Eq.3: QSAR model to predict placental transfer (Training set)