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:000375-73-5
Name:Nonafluorobutane-1-sulfonic acid
Description:
Labels:
CAS:375-73-5
InChi Code:InChI=1/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)/f/h14H

Properties

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

ValueSource or prediction
2.844

experimental value

2.348658

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

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