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: | t56 | |
|---|---|---|
| Name: | perfluorooctanic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 335-67-1 | |
| InChi Code: | InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.12 |
experimental value |
| 2.2681 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.2681 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8031865 | US EPA CompTox Dashboard |