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: | t390 | |
|---|---|---|
| Name: | 5-nitro-o-cresol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 5428-54-6 | |
| InChi Code: | InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.75 |
experimental value |
| 0.7305 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 0.7305 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |