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:8
Name:1,2,3-Trichlorobenzene
Description:
Labels:
CAS:
InChi Code:

Properties

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

ValueSource or prediction
-1.11

experimental value

-1.081

Eq2: Bezene and chlorobenzenes (Nos. 1,2,4-16) (Training)

-1.1306

Eq3: Bezene and chlorobenzenes extended (Nos. 1-21) (Training)

-1.2118

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

-1.18036

Eq5: Correlation with solubility in water (Nos. 1,2,4-14,17-20,27,28,32-36,38-40) (Training)

-1.137

Eq6: Correlation with logPoct for compounds with solubility in water data (Training)

-1.29

Eq7: Correlation with HPLC retention index (Nos. 1,2,4-16) (Training)

-1.1024

Eq8: Correlation with logPoct for compounds with HPLC retention index data (Training)

-1.581644

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

-1.335656

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

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