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54849-65-9

54849-65-9 structural image
Product Name: IR 143
Formula: C47H40ClN3O4S2
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COMPUTED DESCRIPTORS

Molecular Weight 810.4 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 8
Exact Mass 809.2148768 g/mol
Monoisotopic Mass 809.2148768 g/mol
Topological Polar Surface Area 138 Ų
Heavy Atom Count 57
Formal Charge 0
Complexity 1350
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes