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:p348
Name:1-(n-phenylamino)naphthalene
Description:
Labels:Validation, 1
CAS:90-30-2
InChi Code:InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
3.23

experimental value

2.4506

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

2.4506

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

Links to External Resources