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:t448
Name:benzenesulfonamide
Description:
Labels:Training
CAS:98-10-2
InChi Code:InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.68

experimental value

0.5950

Tab2: Multilinear model for diverse chemicals (Training set)

0.5950

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

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