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: | t295 | |
|---|---|---|
| Name: | n,n'-diphenyl-p-phenylenediamine | |
| Description: | ||
| Labels: | Training | |
| CAS: | 74-31-7 | |
| InChi Code: | InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.12 |
experimental value |
| 2.3428 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.3428 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020538 | US EPA CompTox Dashboard |