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:p142
Name:7,12?dihydrotetraphene?7,12?dione
Description:
Labels:Validation, 1
CAS:2498-66-0
InChi Code:InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.69

experimental value

2.3379

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

2.3379

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