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: | t123 | |
|---|---|---|
| Name: | 2-hydroxy-4-n-octoxybenzophenone | |
| Description: | ||
| Labels: | Training | |
| CAS: | 1843-05-6 | |
| InChi Code: | InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.9 |
experimental value |
| 1.6884 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.6884 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9027441 | US EPA CompTox Dashboard |