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:e414
Name:n,n'-dicyclohexylthiourea
Description:
Labels:Validation, 2
CAS:1212-29-9
InChi Code:InChI=1S/C13H24N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.64

experimental value

1.5061

Tab2: Multilinear model for diverse chemicals (External validation set 2)

1.5061

Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources