Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.

Compound

	ID:	t113
	Name:	1,5,9-cyclododecatriene
	Description:
	Labels:	Training
	CAS:	4904-61-4
	InChi Code:	InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8-

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
3.92	experimental value
2.8088	Tab2: Multilinear model for diverse chemicals (Training set)
2.8088	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID8027581	US EPA CompTox Dashboard