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:	47
	Name:	Methadone
	Description:
	Labels:
	CAS:	76-99-3
	InChi Code:	InChI=1/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3

Properties

CI: Clearance Index

Value	Source or prediction
0.83	experimental value
0.74304	Eq.3: QSAR model to predict placental transfer (Training set)