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: | t57 | |
|---|---|---|
| Name: | perfluorooctane sulfonic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 1763-23-1 | |
| InChi Code: | InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.73 |
experimental value |
| 2.3631 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.3631 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3031864 | US EPA CompTox Dashboard |