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:228
Name:o,p'-DDE
Description:
Labels:Training
CAS:3424-82-6
InChi Code:InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H

Properties

PBT_Index: PBT Index i

ValueSource or prediction
3.87

experimental value

3.8

Eq1: Full Model (Training set)

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