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: | 000756-91-2 | |
|---|---|---|
| Name: | 3-Heptene-2,6-diol, 1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl)- | |
| Description: | ||
| Labels: | ||
| CAS: | 756-91-2 | |
| InChi Code: | InChI=1S/C10H8F12O2/c1-4(2-5(23,7(11,12)13)8(14,15)16)3-6(24,9(17,18)19)10(20,21)22/h2,23-24H,3H2,1H3 |
Properties
pLD50rat: Rat oral toxicity as log(1/LD50) [-log(mmol/kg)]
| Value | Source or prediction |
|---|---|
| 4.334 |
experimental value |
| 3.843885 |
Eq2: model for 50 polyflourinated compounds for rat oral toxicity (train) |