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: | p356 | |
|---|---|---|
| Name: | quinoline | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 91-22-5 | |
| InChi Code: | InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.8636 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 0.8636 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1021798 | US EPA CompTox Dashboard |