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:150
Name:propoxur
Description:
Labels:Training
CAS:114-26-1
InChi Code:InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)

Properties

PBT_Index: PBT Index i

ValueSource or prediction
0.04

experimental value

-0.62

Eq1: Full Model (Training set)

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