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:e377
Name:2,3,4-trichloroaniline
Description:
Labels:Validation, 2
CAS:634-67-3
InChi Code:InChI=1S/C6H4Cl3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
2.00

experimental value

1.7141

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

1.7141

Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources