hexaconazole

Identification (Source:EPA,EU)

ID 540
Name hexaconazole
CAS 79983-71-4
IUPAC
Inchi InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
CIPAC 465
EPA Code
Formula C14H17Cl2N3O
SMILES Clc1ccc(c(Cl)c1)C(O)(CCCC)Cn2ncnc2
Status Not Approved

Classification

Mode of Action Broad spectrum, systemic with protective and curative action. Disrupts membrane function.
Pesticide Type Fungicide, Wood Preservative
Chemical Group Triazole
Classification conazole fungicides (triazoles)

Properties (Source:PubChem)

Molecular Weight 314.21
Physical State White crystalline solid
AlogP 3.838
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 302.75
Polar Surface Area 50.94

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 1.7 mg l-1
Aquatic invertebrates Acute 48 hour EC50 2.9 mg l-1
Birds Acute LD50 4000 mg kg-1
Earthworms Acute 14 day LD50 414 mg kg-1
Fish Acute 96 hour LC50 3.4 mg l-1
Honeybees Acute 48 hour LD50 0.1 μg bee-1
Mammals Acute oral LD50 2189 mg kg-1
Mammals Short term dietary NOEL 5 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 412

Related targets

Target Name RScore (About this table)
C18 2(0,0,0,2) Details
CYP19 2(0,0,0,2) Details
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