penconazole

Identification (Source:EPA,EU)

ID 545
Name penconazole
CAS 66246-88-6
IUPAC
Inchi InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3
CIPAC 446
EPA Code 128999
Formula C13H15Cl2N3
SMILES Clc1ccc(c(Cl)c1)C(CCC)Cn2ncnc2
Status Approved

Classification

Mode of Action Systemic with curative and protective action, acts by interfering with ergosterol biosynthesis
Pesticide Type Fungicide
Chemical Group Triazole
Classification conazole fungicides (triazoles)

Properties (Source:PubChem)

Molecular Weight 284.18
Physical State White powder
AlogP 4.261
H-Bond Donor 0
H-Bond Acceptor 2
Surface Area 272.2
Polar Surface Area 30.71

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
Algae Acute 72 hour EC50, growth 2 mg l-1
Aquatic invertebrates Acute 48 hour EC50 6.75 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.06 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.19 mg l-1
Birds Short term dietary LC50/LD50 > 1845 mg/kg bw/day
Birds Acute LD50 > 1590 mg kg-1
Earthworms Acute 14 day LD50 > 331.5 mg kg-1
Fish Acute 96 hour LC50 1.13 mg l-1
Fish Chronic 21 day NOEC 0.32 mg l-1
Honeybees Acute 48 hour LD50 > 30 μg bee-1
Mammals Acute oral LD50 > 2000 mg kg-1
Mammals Short term dietary NOEL 3.8 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 2.0 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 25.2 mg kg-1
Bio-concentration factor CT50 3 days
Bio-concentration factor BCF 320

Related targets

Target Name RScore (About this table)
cytochrome P450 (protein family or complex) 87(1,1,1,7) Details
cholinesterase 84(1,1,1,4) Details
C18 83(1,1,1,3) Details
Docunmentation of Network Visuallization

Network initializing...Please wait

Node List

ID Name Type

Legend:

: Current entry node; : Target node; : Compound node;