10967/115 - QDB Compounds

QsarDB Repository

Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.

Compound

ID:t208
Name:2,4,4',5-tetrachlorodiphenyl ether
Description:
Labels:Training
CAS:61328-45-8
InChi Code:InChI=1S/C12H6Cl4O/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
4.11

experimental value

3.5850

Tab2: Multilinear model for diverse chemicals (Training set)

3.5850

Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

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