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:	1043
	Name:	2,3',4',5-tetrachloro-1,1'-biphenyl
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3'.4'.5-Tetrachloro-1.1'-biphenyl (PCB 70)
	Labels:
	CAS:	32598-11-1
	InChi Code:	InChI=1S/C12H6Cl4/c13-8-2-4-10(14)9(6-8)7-1-3-11(15)12(16)5-7/h1-6H

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

Value	Source or prediction
4.85	experimental value
4.6299	Tab2.Model_2: logKoc (Training set)

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
2.651518242	experimental value
1.9017	Tab2.Model_5: Metab. biotransf. fish (Training set)

Links to External Resources

Link	Resource description
DTXSID3038309	US EPA CompTox Dashboard