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:6
Name:1,3-Dichlorobenzene
Description:
Labels:
CAS:
InChi Code:

Properties

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

ValueSource or prediction
-1.70

experimental value

-1.64715

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

-1.73829

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

-1.79537

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

-1.77366

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

-1.75005

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

-1.644

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

-1.69066

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

-2.482117

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

-2.041158

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

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