10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:528
Name:1-chloro-2-[(2-chloroethoxy)methoxy]ethane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: ethane, 1,1'- methylenebis(oxy) bis 2-chloro-
Labels:
CAS:111-91-1
InChi Code:InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
-0.47674

experimental value

0.6372

Tab2.Model_3: Global half-life index (Training set)

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