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:117
Name:bromobenzene
Description:
Labels:Training
CAS:108-86-1
InChi Code:InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H

Properties

PBT_Index: PBT Index i

ValueSource or prediction
0.82

experimental value

0.46

Eq1: Full Model (Training set)

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