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:t410
Name:1,3,5-tris(2'-hydroxyethyl)isocyanuric acid
Description:
Labels:Training
CAS:839-90-7
InChi Code:InChI=1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.2

experimental value

-1.0781

Tab2: Multilinear model for diverse chemicals (Training set)

-1.0781

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