Bhhatarai, B.; Gramatica, P. Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse. Mol. Diversity 2010, 15, 467–476.
Compound
| ID: | 000424-40-8 | |
|---|---|---|
| Name: | Diethyl hexafluoroglutarate | |
| Description: | ||
| Labels: | ||
| CAS: | 424-40-8 | |
| InChi Code: | InChI=1/C9H10F6O4/c1-3-18-5(16)7(10,11)9(14,15)8(12,13)6(17)19-4-2/h3-4H2,1-2H3 |
Properties
pLD50mouse: Mouse oral toxicity as log(LD50) [-log(mmol/kg)]
| Value | Source or prediction |
|---|---|
| 1.85 |
experimental value |
| 2.2397 |
Eq1: model for 58 polyfluorinated compounds for mouse oral toxicity (train) |
pLD50rat: Rat oral toxicity as log(1/LD50) [-log(mmol/kg)]
| Value | Source or prediction |
|---|---|
| 1.773 |
experimental value |
| 2.126446 |
Eq2: model for 50 polyflourinated compounds for rat oral toxicity (train) |