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1152185-58-4

1152185-58-4 structural image
Product Name: Montelukast Sulfoxide (Mixture of Diastereomers)
Formula: C35H36ClNO4S
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COMPUTED DESCRIPTORS

Molecular Weight 602.2 g/mol
XLogP3 6.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 12
Exact Mass 601.2053575 g/mol
Monoisotopic Mass 601.2053575 g/mol
Topological Polar Surface Area 107 Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 967
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes