10967/195 - QDB Compounds

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Furuhama, A.; Hasunuma, K.; Aoki, Y. Interspecies quantitative structure–activity–activity relationships (QSAARs) for prediction of acute aquatic toxicity of aromatic amines and phenols. SAR QSAR Environ. Res. 2015, 26, 301–323.

Compound

ID:Tab2_62
Name:Benzenamine, 2,4,6-trichloro-
Description:
Labels:
CAS:634-93-5
InChi Code:InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2

Properties

pEC50: 72-h acute algae toxicity as log(1/EC50) [-log(mmol/L)]

ValueSource or prediction
1.73

experimental value

1.36

Eq.4: Model for aromatic amines and phenols (algae) (Training set)

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