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:	t147
	Name:	2,4,6-trimethylphenol
	Description:
	Labels:	Training
	CAS:	527-60-6
	InChi Code:	InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.73	experimental value
1.1642	Tab2: Multilinear model for diverse chemicals (Training set)
1.1642	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID7022049	US EPA CompTox Dashboard