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: | t281 | |
|---|---|---|
| Name: | tris(2-hydroxypropyl)amine | |
| Description: | ||
| Labels: | Training | |
| CAS: | 122-20-3 | |
| InChi Code: | InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| -0.24 |
experimental value |
| 0.0652 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 0.0652 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5021415 | US EPA CompTox Dashboard |