cafenstrole

Identification (Source:EPA,EU)

ID 767
Name cafenstrole
CAS 125306-83-4
IUPAC
Inchi InChI=1S/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3
CIPAC None allocated
EPA Code
Formula C16H22N4O3S
SMILES O=S(=O)(c1ncn(n1)C(=O)N(CC)CC)c2c(cc(cc2C)C)C
Status Not Approved

Classification

Mode of Action Inhibits cell division
Pesticide Type Herbicide
Chemical Group Triazole
Classification amide herbicides
triazole herbicides

Properties (Source:PubChem)

Molecular Weight 350.44
Physical State Colourless crystalline solid
AlogP 3.561
H-Bond Donor 0
H-Bond Acceptor 5
Surface Area 351.85
Polar Surface Area 93.54

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 500 mg l-1
Birds Acute LD50 2000 mg kg-1
Fish Acute 96 hour LC50 1.2 mg l-1
Honeybees Acute 48 hour LD50 1000 μg bee-1
Mammals Acute oral LD50 > 5000 mg kg-1

Related targets

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