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:t81
Name:p-sec-butylphenol
Description:
Labels:Training
CAS:99-71-8
InChi Code:InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.31

experimental value

1.4266

Tab2: Multilinear model for diverse chemicals (Training set)

1.4266

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