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:	e68
	Name:	2,4,6-trinitro-5-tertbutyl-1,3-xylene
	Description:
	Labels:	Validation, 2
	CAS:	81-15-2
	InChi Code:	InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
3.61	experimental value
1.6409	Tab2: Multilinear model for diverse chemicals (External validation set 2)