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1246817-85-5

1246817-85-5 structural image
Product Name: Nilotinib N-Oxide
Formula: C28H22F3N7O2
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COMPUTED DESCRIPTORS

Molecular Weight 545.5 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 6
Exact Mass 545.17870746 g/mol
Monoisotopic Mass 545.17870746 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 851
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes