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:t294
Name:diphenylamine
Description:
Labels:Training
CAS:122-39-4
InChi Code:InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
2.18

experimental value

1.7448

Tab2: Multilinear model for diverse chemicals (Training set)

1.7448

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

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