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:	e504
	Name:	4-isobutylmorpholine
	Description:
	Labels:	Validation, 2
	CAS:	10315-98-7
	InChi Code:	InChI=1S/C8H17NO/c1-8(2)7-9-3-5-10-6-4-9/h8H,3-7H2,1-2H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.13	experimental value
0.7560	Tab2: Multilinear model for diverse chemicals (External validation set 2)
0.7560	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID30145675	US EPA CompTox Dashboard