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:t335
Name:phthalonitrile
Description:
Labels:Training
CAS:91-15-6
InChi Code:InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0

experimental value

0.8093

Tab2: Multilinear model for diverse chemicals (Training set)

0.8093

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

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