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:p275
Name:triethylamine
Description:
Labels:Validation, 1
CAS:121-44-8
InChi Code:InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.69

experimental value

0.8153

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

0.8153

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

Links to External Resources