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:e24
Name:cycloheximide
Description:
Labels:Validation, 2
CAS:66-81-9
InChi Code:InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
-0.04

experimental value

0.1810

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

0.1810

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