simeconazole

Identification (Source:EPA,EU)

ID 549
Name simeconazole
CAS 149508-90-7
IUPAC
Inchi InChI=1S/C14H20FN3OSi/c1-20(2,3)9-14(19,8-18-11-16-10-17-18)12-4-6-13(15)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3
CIPAC None allocated
EPA Code
Formula C14H20FN3OSi
SMILES Fc(c2)ccc(c2)C(O)(Cn(c1)ncn1)C[Si](C)(C)C
Status Not Approved

Classification

Mode of Action Systemic, absorbed by roots and translocates, sterol demethylation inhibitor
Pesticide Type Fungicide
Chemical Group Conazole
Classification conazole fungicides (triazoles)

Properties (Source:PubChem)

Molecular Weight 293.41
Physical State White crystalline solid
AlogP 2.677
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 292.06
Polar Surface Area 50.94

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
Mammals Acute oral LD50 611 mg kg-1
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