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:	e405
	Name:	1-azacyclotridecan-2-one
	Description:
	Labels:	Validation, 2
	CAS:	947-04-6
	InChi Code:	InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.24	experimental value
1.7244	Tab2: Multilinear model for diverse chemicals (External validation set 2)
1.7244	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID1027344	US EPA CompTox Dashboard