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Homecas170729-76-7

170729-76-7

170729-76-7 structural image
Product Name: Defluoro Aprepitant
Formula: C23H22F6N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 516.4 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 6
Exact Mass 516.15960955 g/mol
Monoisotopic Mass 516.15960955 g/mol
Topological Polar Surface Area 75.2 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 780
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