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:t215
Name:chlordane
Description:
Labels:Training
CAS:57-74-9
InChi Code:InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
4.23

experimental value

3.4032

Tab2: Multilinear model for diverse chemicals (Training set)

3.4032

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

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