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:e252
Name:thiuram mt
Description:
Labels:Validation, 2
CAS:120-54-7
InChi Code:InChI=1S/C12H20N2S6/c15-11(13-7-3-1-4-8-13)17-19-20-18-12(16)14-9-5-2-6-10-14/h1-10H2

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.12

experimental value

1.2399

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

1.2399

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

Links to External Resources