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:t351
Name:2-aminoanthraquinone
Description:
Labels:Training
CAS:117-79-3
InChi Code:InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.51

experimental value

1.2676

Tab2: Multilinear model for diverse chemicals (Training set)

1.2676

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

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