atrazine mercapturate
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atrazine mercapturate
structure -
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CAS No:
138722-96-0
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Formula:
C13H22N6O3S
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Chemical Name:
atrazine mercapturate
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Synonyms:
Atrazine-mercapturate, 100 μg /μL in Acetonitrile
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CAS No:
atrazine mercapturate Use and Manufacturing
The major metabolite of Atrazine (A794600) (ATR) in human urine.
Computed Properties
Molecular Weight:342.42
XLogP3:1.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:342.14740976
Monoisotopic Mass:342.14740976
Topological Polar Surface Area:154
Heavy Atom Count:23
Complexity:398
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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