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: | p396 | |
|---|---|---|
| Name: | 3,5-xylyl n-methylcarbamate | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 2655-14-3 | |
| InChi Code: | InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.28 |
experimental value |
| 1.1100 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 1.1100 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7058042 | US EPA CompTox Dashboard |