simetryn

Identification (Source:EPA,EU)

ID 1138
Name simetryn
CAS 1014-70-6
IUPAC
Inchi InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
CIPAC 179
EPA Code 294300
Formula C8H15N5S
SMILES S(c1nc(nc(n1)NCC)NCC)C
Status Not Available

Classification

Mode of Action Selective systemetic, inhibites photosynthesis
Pesticide Type Herbicide
Chemical Group Triazine
Classification methylthiotriazine herbicides

Properties (Source:PubChem)

Molecular Weight 213.30
Physical State White powder
AlogP 1.42
H-Bond Donor 2
H-Bond Acceptor 6
Surface Area 227.89
Polar Surface Area 88.03

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 0.0098 mg l-1
Aquatic invertebrates Acute 48 hour EC50 50.0 mg l-1
Fish Acute 96 hour LC50 7.0 mg l-1
Mammals Acute oral LD50 750 mg kg-1

Related targets

Target Name RScore (About this table)
ScFv 83(1,1,1,3) Details
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Node List

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