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:p445
Name:tris(2-propan-2-ylphenyl) phosphate
Description:
Labels:Validation, 1
CAS:26967-76-0
InChi Code:InChI=1S/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.5

experimental value

1.6059

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

1.6059

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