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:221
Name:dicamba
Description:
Labels:Training
CAS:1918-00-9
InChi Code:InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)

Properties

PBT_Index: PBT Index i

ValueSource or prediction
0.72

experimental value

0.7

Eq1: Full Model (Training set)

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