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:t328
Name:o-nitroanisole
Description:
Labels:Training
CAS:91-23-6
InChi Code:InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.6

experimental value

0.9869

Tab2: Multilinear model for diverse chemicals (Training set)

0.9869

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

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