10967/170 - QDB Compounds

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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:000376-90-9
Name:2,2,3,3,4,4-Hexafluoro-1,5-pentanediol
Description:
Labels:
CAS:376-90-9
InChi Code:InChI=1/C5H6F6O2/c6-3(7,1-12)5(10,11)4(8,9)2-13/h12-13H,1-2H2

Properties

pLD50rat: Rat oral toxicity as log(1/LD50) [-log(mmol/kg)]

ValueSource or prediction
2.076

experimental value

2.286738

Eq2: model for 50 polyflourinated compounds for rat oral toxicity (train)

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