10967/180 - QDB Compounds

QsarDB Repository

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:43
Name:1,2-dichloropropane
Description:
Labels:Training
CAS:78-87-5
InChi Code:InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3

Properties

PBT_Index: PBT Index i

ValueSource or prediction
-0.01

experimental value

-0.24

Eq1: Full Model (Training set)

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