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:32
Name:p,p'-DDE
Description:
Labels:Training
CAS:72-55-9
InChi Code:InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H

Properties

PBT_Index: PBT Index i

ValueSource or prediction
4.16

experimental value

3.82

Eq1: Full Model (Training set)

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