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:216
Name:carbofuran
Description:
Labels:Training
CAS:1563-66-2
InChi Code:InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)

Properties

PBT_Index: PBT Index i

ValueSource or prediction
0.47

experimental value

-0.63

Eq1: Full Model (Training set)

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