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186352-97-6

186352-97-6 structural image
Product Name: Montelukast 1,2-Diol_x000b_(Mixture of diastereomers)
Formula: C35H36ClNO4S
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COMPUTED DESCRIPTORS

Molecular Weight 602.2 g/mol
XLogP3 6.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 13
Exact Mass 601.2053575 g/mol
Monoisotopic Mass 601.2053575 g/mol
Topological Polar Surface Area 116 Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 913
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

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