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260790-61-2

260790-61-2 structural image
Product Name: Ximelagatran Nitrile
Formula: C24H32N4O4
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COMPUTED DESCRIPTORS

Molecular Weight 440.5 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 10
Exact Mass 440.24235551 g/mol
Monoisotopic Mass 440.24235551 g/mol
Topological Polar Surface Area 112 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 704
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes