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Homecas419574-04-2

419574-04-2

419574-04-2 structural image
Product Name: Aprepitant-M3 Metabolite
Formula: C20H16F7NO3
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COMPUTED DESCRIPTORS

Molecular Weight 451.3 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 4
Exact Mass 451.10184051 g/mol
Monoisotopic Mass 451.10184051 g/mol
Topological Polar Surface Area 47.6 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 597
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes