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:t44
Name:dibenzo[a,h]anthracene
Description:
Labels:Training
CAS:53-70-3
InChi Code:InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
2.8

experimental value

4.3058

Tab2: Multilinear model for diverse chemicals (Training set)

4.3058

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

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