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486459-71-6

486459-71-6 structural image
Product Name: Sitagliptin monohydrochloride
Formula: C16H16ClF6N5O
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COMPUTED DESCRIPTORS

Molecular Weight 443.77 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 4
Exact Mass 443.0947568 g/mol
Monoisotopic Mass 443.0947568 g/mol
Topological Polar Surface Area 77 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 566
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

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