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: | t63 | |
|---|---|---|
| Name: | 2,2-dimethyl-1,3-propanediol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 126-30-7 | |
| InChi Code: | InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| -0.42 |
experimental value |
| 0.2754 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 0.2754 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8027036 | US EPA CompTox Dashboard |