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:t197
Name:1,2,3-trichlorobenzene
Description:
Labels:Training
CAS:87-61-6
InChi Code:InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
2.82

experimental value

2.3867

Tab2: Multilinear model for diverse chemicals (Training set)

2.3867

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

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