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:p48
Name:2,3,7,8-tetrachlorodibenzofuran
Description:
Labels:Validation, 1
CAS:51207-31-9
InChi Code:InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
4.52

experimental value

2.7842

Tab2: Multilinear model for diverse chemicals (External validation set 1)

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