dichlone

Identification (Source:EPA,EU)

ID 316
Name dichlone
CAS 117-80-6
IUPAC 2,3-dichloro-1,4-naphthoquinone
Inchi InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
CIPAC 149
EPA Code 029601
Formula C10H4Cl2O2
SMILES O=C2c1c(cccc1)C(=O)C(/Cl)=C2/Cl
Status Not Approved

Classification

Mode of Action unknown
Pesticide Type Fungicide, Algicide
Chemical Group Quinone
Classification Algicides
quinone fungicides

Properties (Source:PubChem)

Molecular Weight 227.04
Physical State
AlogP 2.495
H-Bond Donor 0
H-Bond Acceptor 2
Surface Area 193.54
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
Mammals Acute oral LD50 160 mg kg-1

Related targets

Target Name RScore (About this table)
DT diaphorase 33(0,1,1,3) Details
cytochrome P450 (protein family or complex) 31(0,1,1,1) Details
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