10967/129 - QDB Compounds

QsarDB Repository

Veith, G.D.; Petkova, E.P.; Wallace, K.B. A baseline inhalation toxicity model for narcosis in mammals. SAR QSAR Environ. Res. 2009, 20, 5-6, 567–578.

Compound

ID:21
Name:1-Hexene
Description:Changed name from the original Hexene (2-methylpentene-1)
Labels:
CAS:592-41-6
InChi Code:InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3

Properties

logLC50exp: Acute inhalation toxicity in rats as log(LC50) [log(mmol/m3)]

ValueSource or prediction
3.14

Kennedy, J. L.; Graepel, G. J. Acute toxicity in the rat following either oral or inhalation exposure. Toxicology Letters 1991, 56, 317-326. https://doi.org/10.1016/0378-4274(91)90160-8

3.10

Eq1: Non-polar narcosis for baseline toxicity in rat acute inhalation (Training set)

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