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:t442
Name:2-ethylhexyl diphenyl phosphate
Description:
Labels:Training
CAS:1241-94-7
InChi Code:InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
2.49

experimental value

1.3297

Tab2: Multilinear model for diverse chemicals (Training set)

1.3297

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

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