tetraconazole

Identification (Source:EPA,EU)

ID 551
Name tetraconazole
CAS 112281-77-3
IUPAC
Inchi InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2
CIPAC 726
EPA Code 120603
Formula C13H11Cl2F4N3O
SMILES FC(F)C(F)(F)OCC(c1ccc(Cl)cc1Cl)Cn2ncnc2
Status Approved

Classification

Mode of Action Systemic with protectant, eradicant and curative properties
Pesticide Type Fungicide
Chemical Group Triazole
Classification conazole fungicides (triazoles)

Properties (Source:PubChem)

Molecular Weight 372.15
Physical State Colourless viscous liquid
AlogP 4.033
H-Bond Donor 0
H-Bond Acceptor 3
Surface Area 314.01
Polar Surface Area 39.94

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
Algae Acute 72 hour EC50, growth 2.4 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.42 mg l-1
Aquatic invertebrates Acute 48 hour EC50 3.0 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.19 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.52 mg l-1
Birds Acute LD50 132 mg kg-1
Birds Short term dietary LC50/LD50 55.5 mg/kg bw/day
Earthworms Chronic 14 day NOEC, reproduction 8.2 mg kg-1
Earthworms Acute 14 day LD50 71 mg kg-1
Fish Acute 96 hour LC50 4.3 mg l-1
Fish Chronic 21 day NOEC 0.3 mg l-1
Honeybees Acute 48 hour LD50 63 μg bee-1
Mammals Acute oral LD50 1031 mg kg-1
Mammals Short term dietary NOEL > 10 ppm diet
Mammals Short term dietary NOEL > 0.8 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 4.45 mg kg-1
Bio-concentration factor CT50 0.189 days
Bio-concentration factor BCF 35.7

Related targets

Target Name RScore (About this table)
CYP51 2(0,0,0,2) Details
Acetylcholinesterase 2(0,0,0,2) Details
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