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:p401
Name:carbazole
Description:
Labels:Validation, 1
CAS:86-74-8
InChi Code:InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
2.07

experimental value

1.8211

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

1.8211

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

Links to External Resources