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: | t262 | |
|---|---|---|
| Name: | chloro-triphenyl-methane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 76-83-5 | |
| InChi Code: | InChI=1S/C19H15Cl/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.64 |
experimental value |
| 3.5123 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.5123 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |