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171092-39-0

171092-39-0 structural image
Product Name: DEFOSLIMOD
Formula: C52H100N2O20P2
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COMPUTED DESCRIPTORS

Molecular Weight 1149.3 g/mol
XLogP3 8.5
Hydrogen Bond Donor Count 11
Hydrogen Bond Acceptor Count 20
Rotatable Bond Count 47
Exact Mass 1148.65011764 g/mol
Monoisotopic Mass 1148.65011764 g/mol
Topological Polar Surface Area 347 Ų
Heavy Atom Count 77
Formal Charge 0
Complexity 1660
Isotope Atom Count 0
Defined Atom Stereocenter Count 12
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes