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
| Value | Source 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) |