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: | e459 | |
|---|---|---|
| Name: | 1-octadecanethiol | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 2885-00-9 | |
| InChi Code: | InChI=1S/C18H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| -0.04 |
experimental value |
| 2.4979 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0062686 | US EPA CompTox Dashboard |