acifluorfen

Identification (Source:EPA,EU)

ID 935
Name acifluorfen
CAS 50594-66-6
IUPAC
Inchi InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
CIPAC 497
EPA Code
Formula C14H7ClF3NO5
SMILES Clc2cc(ccc2Oc1cc(C(=O)O)c([N+]([O-])=O)cc1)C(F)(F)F
Status Not Approved

Classification

Mode of Action Contact action
Pesticide Type Herbicide, Metabolite
Chemical Group Nitrophenyl ether
Classification nitrophenyl ether herbicides

Properties (Source:PubChem)

Molecular Weight 361.66
Physical State Off-white coloured solid
AlogP 4.521
H-Bond Donor 1
H-Bond Acceptor 5
Surface Area 305.35
Polar Surface Area 92.35

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
Aquatic invertebrates Acute 48 hour EC50 28 mg l-1
Birds Acute LD50 2821 mg kg-1
Fish Acute 96 hour LC50 54 mg l-1
Mammals Acute oral LD50 1370 mg kg-1

Related targets

Target Name RScore (About this table)
protoporphyrinogen oxidase 1877(18,29,30,102) Details
orexin 117(1,2,2,7) Details
glutathione S transferase 94(1,1,3,4) Details
protein as 81(1,1,1,1) Details
G protein 81(1,1,1,1) Details
glyceraldehyde 3 phosphate dehydrogenase 81(1,1,1,1) Details
aryl hydrocarbon receptor 38(0,1,1,8) Details
mitochondrial benzodiazepine receptor 35(0,1,1,5) Details
glutathione transferase 34(0,1,1,4) Details
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