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104448-53-5

104448-53-5 structural image
Product Name: ICI 198615
Formula: C28H28N4O6S
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COMPUTED DESCRIPTORS

Molecular Weight 548.6 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 9
Exact Mass 548.17295580 g/mol
Monoisotopic Mass 548.17295580 g/mol
Topological Polar Surface Area 137 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 946
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