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: | p205 | |
|---|---|---|
| Name: | tris(4-chlorophenyl)methanol | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 3010-80-8 | |
| InChi Code: | InChI=1S/C19H13Cl3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.95 |
experimental value |
| 3.5975 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 3.5975 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID50184187 | US EPA CompTox Dashboard |