10967/180 - QDB Compounds

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Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.

Compound

ID:25
Name:hexachloroethane
Description:
Labels:Training
CAS:67-72-1
InChi Code:InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8

Properties

PBT_Index: PBT Index i

ValueSource or prediction
2.32

experimental value

2.37

Eq1: Full Model (Training set)

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