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1176496-97-1

1176496-97-1 structural image
Product Name: 13(S)-HODE-BIOTIN
Formula: C28H48N4O4S
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COMPUTED DESCRIPTORS

Molecular Weight 536.8 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 19
Exact Mass 536.33962720 g/mol
Monoisotopic Mass 536.33962720 g/mol
Topological Polar Surface Area 145 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 746
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes