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: | 000121-17-5 | |
|---|---|---|
| Name: | 4-Chloro-3-nitrobenzotrifluoride | |
| Description: | ||
| Labels: | ||
| CAS: | 121-17-5 | |
| InChi Code: | InChI=1/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H |
Properties
pLD50mouse: Mouse oral toxicity as log(LD50) [-log(mmol/kg)]
| Value | Source or prediction |
|---|---|
| 2.75 |
experimental value |
| 2.1117 |
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 |
|---|---|
| 2.322 |
experimental value |
| 2.745639 |
Eq2: model for 50 polyflourinated compounds for rat oral toxicity (train) |