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simazine

Identification (Source:EPA,EU)

ID	328
Name	simazine
CAS	122-34-9
IUPAC
Inchi	InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
CIPAC	22
EPA Code	080807
Formula	C7H12ClN5
SMILES	Clc1nc(nc(n1)NCC)NCC
Status	Not Approved

Classification

Mode of Action	Selective, systemic, absorbed through roots and foliage and translocated. Inhibits photosynthesis (photosystem II).
Pesticide Type	Herbicide
Chemical Group	Triazine
Classification	Algicides chlorotriazine herbicides

Properties (Source:PubChem)

Molecular Weight	201.66
Physical State	Colourless to white solid
AlogP	1.213
H-Bond Donor	2
H-Bond Acceptor	5
Surface Area	207.72
Polar Surface Area	62.73

Structure

Ecotoxicology (Source:PPDB,IPM)

Species	Method	Study Time	Dose Type	Value
Algae	Chronic	96 hour	NOEC, growth	0.6 mg l-1
Algae	Acute	72 hour	EC50, growth	0.04 mg l-1
Aquatic invertebrates	Acute	48 hour	EC50	1.1 mg l-1
Aquatic invertebrates	Chronic	21 day	NOEC	2.5 mg l-1
Aquatic plants	Acute	7 day	EC50, biomass	0.3 mg l-1
Birds	Acute		LD50	4640 mg kg-1
Earthworms	Acute	14 day	LD50	1000 mg kg-1
Fish	Chronic	21 day	NOEC	0.7 mg l-1
Fish	Acute	96 hour	LC50	90 mg l-1
Honeybees	Acute	48 hour	LD50	97 μg bee-1
Mammals	Acute oral		LD50	> 5000 mg kg-1
Mammals	Short term dietary		NOEL	200 ppm diet
Mammals	Short term dietary		NOEL	6.9 mg kg-1
	Bio-concentration factor		BCF	221
	Bio-concentration factor		CT50	Not available days

Related targets

Target Name	RScore (About this table)
tyrosine hydroxylase	162(2,2,2,2)	Details
cytochrome P450 (protein family or complex)	194(1,4,6,14)	Details
SF 1	119(1,2,2,9)	Details
CYP1A1	114(1,1,6,9)	Details
interleukin 1	87(1,1,2,2)	Details
protein a	83(1,1,1,3)	Details
alcohol dehydrogenases (protein family or complex)	83(1,1,1,3)	Details
interferon (protein family or complex)	81(1,1,1,1)	Details
beta glucosidase	81(1,1,1,1)	Details
tumor necrosis factor alpha	64(0,2,2,4)	Details
dopamine beta hydroxylase	62(0,2,2,2)	Details
D2R	39(0,1,2,4)	Details
IL 6	37(0,1,2,2)	Details
Tyrosinase	33(0,1,1,3)	Details
FAME	31(0,1,1,1)	Details
chitinase	31(0,1,1,1)	Details
C18	51(0,0,4,31)	Details
Acetylcholinesterase	18(0,0,3,3)	Details

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