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:t195
Name:p-dibromobenzene
Description:
Labels:Training
CAS:106-37-6
InChi Code:InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
2.21

experimental value

2.3346

Tab2: Multilinear model for diverse chemicals (Training set)

2.3346

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

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