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:p329
Name:4-nitrophenyl methylether
Description:
Labels:Validation, 1
CAS:100-17-4
InChi Code:InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.09

experimental value

1.0227

Tab2: Multilinear model for diverse chemicals (External validation set 1)

1.0227

Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)