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:92
Name:methoxybenzene
Description:
Labels:Training
CAS:100-66-3
InChi Code:InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

Properties

PBT_Index: PBT Index i

ValueSource or prediction
-0.23

experimental value

-0.26

Eq1: Full Model (Training set)

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