chloranil

Identification (Source:EPA,EU)

ID 694
Name chloranil
CAS 118-75-2
IUPAC
Inchi InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
CIPAC 243
EPA Code 079301
Formula C6Cl4O2
SMILES ClC=1C(=O)C(\Cl)=C(\Cl)C(=O)C=1Cl
Status Not Available

Classification

Mode of Action Broad spectrum, inhibits electron transport, photophosphorylation and CO2 fixation.
Pesticide Type Fungicide
Chemical Group Quinone
Classification quinone fungicides

Properties (Source:PubChem)

Molecular Weight 245.88
Physical State Yellow to greenish crystalline powder
AlogP 2.162
H-Bond Donor 0
H-Bond Acceptor 2
Surface Area 198.23
Polar Surface Area 34.14

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Fish Acute 96 hour LC50 0.01 mg l-1
Mammals Acute oral LD50 > 4000 mg kg-1

Related targets

Target Name RScore (About this table)
BLT2 124(1,2,3,9) Details
glutathione S transferase 48(0,1,1,18) Details
Cl 2 38(0,1,2,3) Details
Chl 2 7(0,0,1,2) Details
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