186352-97-6
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 |