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:t249
Name:1,2,3,4,5-pentabromo-6-chlorocyclohexane
Description:
Labels:Training
CAS:87-84-3
InChi Code:InChI=1S/C6H6Br5Cl/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
2.41

experimental value

2.9848

Tab2: Multilinear model for diverse chemicals (Training set)

2.9848

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

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