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: | p367 | |
|---|---|---|
| Name: | tris(1,3-dichloropropan-2-yl) phosphate | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 13674-87-8 | |
| InChi Code: | InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.13 |
experimental value |
| 1.2804 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 1.2804 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9026261 | US EPA CompTox Dashboard |