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:e219
Name:n-[2-(octadecanoylamino)ethyl]octadecanamide
Description:
Labels:Validation, 2
CAS:110-30-5
InChi Code:InChI=1S/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,41)(H,40,42)

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.32

experimental value

-4.2162

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