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: | t231 | |
|---|---|---|
| Name: | 1,3-dibromo-2,2-bis(bromomethyl) propane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 3229-00-3 | |
| InChi Code: | InChI=1S/C5H8Br4/c6-1-5(2-7,3-8)4-9/h1-4H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.62 |
experimental value |
| 2.3764 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.3764 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |