10967/108 - QDB Compounds

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Könemann, H. Quantitative structure-activity relationships in fish toxicity studies Part 1: Relationship for 50 industrial pollutants. Toxicology 1981, 19, 3, 209–221.

Compound

ID:31
Name:2,4,5-Trichlorotoluene
Description:
Labels:
CAS:
InChi Code:

Properties

pLC50: 14 and 7-day Guppy toxicity as log(1/LC50) [log(L/µmol)]

ValueSource or prediction
-0.94

experimental value

-0.75888

Eq4: Classical baseline model (Nos.1-21,27-55) (Training)

-0.844966

Eq9: Correlation of baseline compounds with zero order molecular valence connectivity index (Training)

-0.758484

Eq11: Chloroalkanes and aromatic compounds (Nos. 1-19, 27-43) (Training)

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