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:t436
Name:m-nitrobenzene sulfonic acid
Description:
Labels:Training
CAS:98-47-5
InChi Code:InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.7

experimental value

1.2456

Tab2: Multilinear model for diverse chemicals (Training set)

1.2456

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