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:p228
Name:1-chlorobutane
Description:
Labels:Validation, 1
CAS:109-69-3
InChi Code:InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.15

experimental value

1.8079

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

1.8079

Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources