Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1330
	Name:	2-(2H-1,2,3-benzotriazol-2-yl)-4,6-di-tert-butylphenol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenol. 2-(2H-benzotriazol-2-yl)-4.6-bis(1.1-dimethylethyl)-
	Labels:
	CAS:	3846-71-7
	InChi Code:	InChI=1S/C20H25N3O/c1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h7-12,24H,1-6H3

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.890825461	experimental value
-0.3114	Tab2.Model_5: Metab. biotransf. fish (Training set)