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2126178-55-8

2126178-55-8 structural image
Product Name: Regorafenib-13C-d3
Formula: C21H12ClD3F4N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 486.8 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 486.0990658 g/mol
Monoisotopic Mass 486.0990658 g/mol
Topological Polar Surface Area 92.4 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 686
Isotope Atom Count 4
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