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:90
Name:ethenylbenzene
Description:
Labels:Training
CAS:100-42-5
InChi Code:InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2

Properties

PBT_Index: PBT Index i

ValueSource or prediction
-0.24

experimental value

0.02

Eq1: Full Model (Training set)

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