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:t216
Name:p,p'-dichlorodiphenyldichloroethylene
Description:
Labels:Training
CAS:72-55-9
InChi Code:InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
4.51

experimental value

3.8451

Tab2: Multilinear model for diverse chemicals (Training set)

3.8451

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

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