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:t437
Name:2-chloro-5-nitrobenzenesulfonic acid
Description:
Labels:Training
CAS:96-73-1
InChi Code:InChI=1S/C6H4ClNO5S/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13/h1-3H,(H,11,12,13)

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.48

experimental value

1.5149

Tab2: Multilinear model for diverse chemicals (Training set)

1.5149

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

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