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:t403
Name:5-nitrobenzimidazole
Description:
Labels:Training
CAS:94-52-0
InChi Code:InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.11

experimental value

0.6981

Tab2: Multilinear model for diverse chemicals (Training set)

0.6981

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

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