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131391-65-6

131391-65-6 structural image
Product Name: N-Methylleukotriene C4
Formula: C31H49N3O9S
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COMPUTED DESCRIPTORS

Molecular Weight 638.8 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 23
Exact Mass 638.31112629 g/mol
Monoisotopic Mass 638.31112629 g/mol
Topological Polar Surface Area 216 Ų
Heavy Atom Count 44
Formal Charge 1
Complexity 1080
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 4
Defined Bond Stereocenter Count 4
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes