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1185240-53-2

1185240-53-2 structural image
Product Name: dl-Benflumelol-d18
Formula: C30H14Cl3D18NO
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COMPUTED DESCRIPTORS

Molecular Weight 547.0 g/mol
XLogP3 8.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 10
Exact Mass 545.267929 g/mol
Monoisotopic Mass 545.267929 g/mol
Topological Polar Surface Area 23.5 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 671
Isotope Atom Count 18
Defined Atom Stereocenter Count 0
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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