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: | p417 | |
|---|---|---|
| Name: | 2-(2'-hydroxy-3',5'-di-t-butylphenyl)-5-chlorobenzotriazole | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 3864-99-1 | |
| InChi Code: | InChI=1S/C20H24ClN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 1.8381 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 1.8381 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |