ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Chlorothalonil

Chlorothalonil

Biotransformation Network EPA EPISUITE EPA ECOSAR

Biotransformation Network

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Successor SMILES	Successor PubChem ID	Reaction Name	Reaction SMILES	Enzyme	Biosystem	Transformation
ClC1=C(C(Cl)=C(Cl)C=C1C#N)C#N	3015146	EAWAG_RULE_BT0029		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
ClC1=C(C(Cl)=CC(Cl)=C1C#N)C#N	167848	EAWAG_RULE_BT0029		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C1=C(C(Cl)=C(Cl)C(Cl)=C1C#N)C#N	87938213	EAWAG_RULE_BT0029		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
ClC1=C(C(Cl)=C(Cl)C(Cl)=C1C([O-])=O)C#N		EAWAG_RULE_BT0030		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
ClC1=C(C(Cl)=C(Cl)C(Cl)=C1C#N)O		EAWAG_RULE_BT0031		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C#N	768	EAWAG_RULE_BT0031		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )

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EPA EPISUITE – Environmental Fate

Predicted log KOW ⓘ	Experimental log KOW ⓘ	Predicted log KAW ⓘ	Predicted log KOA ⓘ	Experimental log KOA ⓘ	BCF (L/kg wet-wt) ⓘ	BAF (L/kg wet-wt) ⓘ
3.665	2.9	-4.9906	7.8906		38.06	76.59

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EPA ECOSAR – Aquatic Toxicity

QSAR Class	Organism	Duration	Endpoint	Concentration (mg/L)
Neutral Organics	Fish	96-hr	LC50	33.9666
Neutral Organics	Daphnid	48-hr	LC50	20.9576
Neutral Organics	Green Algae	96-hr	EC50	22.0121
Neutral Organics	Fish (SW)	96-hr	LC50	42.9924
Neutral Organics	Mysid	96-hr	LC50	17.3665

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DISCLAIMER

ReCAnt is a database of chemicals used in aquaculture and their ecotoxic effects, compiled from published literature. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on chemicals used in aquaculture is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.