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:241
Name:2,7-dichlorodibenzo-p-dioxin
Description:
Labels:Training
CAS:33857-26-0
InChi Code:InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H

Properties

PBT_Index: PBT Index i

ValueSource or prediction
2.02

experimental value

2.28

Eq1: Full Model (Training set)

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