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:t452
Name:benzophenone
Description:
Labels:Training
CAS:119-61-9
InChi Code:InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.89

experimental value

1.9952

Tab2: Multilinear model for diverse chemicals (Training set)

1.9952

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

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