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: | p444 | |
|---|---|---|
| Name: | diphenyl tridecyl phosphite | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 60628-17-3 | |
| InChi Code: | InChI=1S/C25H37O3P/c1-2-3-4-5-6-7-8-9-10-11-18-23-26-29(27-24-19-14-12-15-20-24)28-25-21-16-13-17-22-25/h12-17,19-22H,2-11,18,23H2,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.05 |
experimental value |
| 2.1010 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 2.1010 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0069414 | US EPA CompTox Dashboard |