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:e413
Name:decabromobiphenyl ether
Description:
Labels:Validation, 2
CAS:1163-19-5
InChi Code:InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.20

experimental value

4.7314

Tab2: Multilinear model for diverse chemicals (External validation set 2)

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