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:t314
Name:o-nitrotoluene
Description:
Labels:Training
CAS:88-72-2
InChi Code:InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.26

experimental value

1.2426

Tab2: Multilinear model for diverse chemicals (Training set)

1.2426

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

Links to External Resources