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1553977-17-5

1553977-17-5 structural image
Product Name: Ibrutinib D5
Formula: C25H24N6O2
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COMPUTED DESCRIPTORS

Molecular Weight 445.5 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 445.22745776 g/mol
Monoisotopic Mass 445.22745776 g/mol
Topological Polar Surface Area 99.2 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 678
Isotope Atom Count 5
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes