nitrofen

Identification (Source:EPA,EU)

ID 946
Name nitrofen
CAS 1836-75-5
IUPAC 2,4-dichlorophenyl 4-nitrophenyl ether
Inchi InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
CIPAC
EPA Code 038201
Formula C12H7Cl2NO3
SMILES c1(Oc2ccc([N+](=O)[O-])cc2)c(cc(Cl)cc1)Cl
Status Not Approved

Classification

Mode of Action Contact action, inhibits noncyclic electron transport distrupting photosynthesis
Pesticide Type Herbicide
Chemical Group Diphenyl ether
Classification nitrophenyl ether herbicides

Properties (Source:PubChem)

Molecular Weight 284.1
Physical State Colourless, crystalline solid
AlogP 4.613
H-Bond Donor 0
H-Bond Acceptor 3
Surface Area 249.9
Polar Surface Area 55.05

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

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 40.0 mg l-1
Fish Acute 96 hour LC50 7.0 mg l-1
Mammals Acute oral LD50 2630 mg kg-1

Related targets

Target Name RScore (About this table)
Retinal dehydrogenase 2 280(3,4,4,10) Details
vascular endothelial growth factor 306(3,3,10,31) Details
p38 232(2,4,5,7) Details
aquaporin 5 219(2,3,6,14) Details
MAPK (protein family or complex) 199(2,3,3,9) Details
BMP4 196(2,3,3,6) Details
surfactant protein 260(2,2,13,45) Details
estrogen receptor alpha 167(2,2,2,7) Details
proliferating cell nuclear antigen 167(2,2,2,7) Details
P19 181(1,4,5,6) Details
ET A 139(1,2,5,14) Details
angiotensin I 130(1,2,4,10) Details
Atrial natriuretic peptide 121(1,2,3,6) Details
Hoxb 5 116(1,2,2,6) Details
Connexin 43 146(1,1,10,21) Details
tropoelastin 131(1,1,4,36) Details
Thyroid transcription factor 1 130(1,1,7,20) Details
ICAM 1 112(1,1,4,17) Details
epidermal growth factor 99(1,1,3,9) Details
thyroid hormone receptor (protein family or complex) 94(1,1,2,9) Details
sulfotransferase 89(1,1,1,9) Details
sulfotransferases (protein family or complex) 87(1,1,2,2) Details
MEF2C 83(1,1,1,3) Details
protoporphyrinogen oxidase 82(1,1,1,2) Details
apoprotein 81(1,1,1,1) Details
NAT1 81(1,1,1,1) Details
T3 receptor 81(1,1,1,1) Details
phosphodiesterases (protein family or complex) 81(1,1,1,1) Details
NAT2 81(1,1,1,1) Details
GATA6 140(0,4,6,10) Details
GATA4 119(0,3,6,14) Details
caspase 3 64(0,2,2,4) Details
calcitonin gene related peptide 66(0,1,4,21) Details
insulin like growth factor binding protein 3 51(0,1,4,6) Details
LRAT 45(0,1,3,5) Details
IGFBP 5 45(0,1,3,5) Details
EGFR 41(0,1,2,6) Details
casein 39(0,1,2,4) Details
Cyp26b1 38(0,1,2,3) Details
SULT1A1 37(0,1,2,2) Details
tumor necrosis factor alpha 34(0,1,1,4) Details
serine threonine protein kinase 32(0,1,1,2) Details
lactate dehydrogenase (protein family or complex) 31(0,1,1,1) Details
ATPase 31(0,1,1,1) Details
neutral endopeptidase 31(0,1,1,1) Details
caspase (protein family or complex) 31(0,1,1,1) Details
SP B 77(0,0,9,32) Details
COUP TFII 38(0,0,5,13) Details
IL 6 36(0,0,4,16) Details
Ghrelin 29(0,0,4,9) Details
ttf 1 28(0,0,4,8) Details
ET B 26(0,0,3,11) Details
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