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84412-94-2

84412-94-2 structural image
Product Name: Emoxyl
Formula: C36H45N4O10.ClH
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COMPUTED DESCRIPTORS

Molecular Weight 694.8 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 5
Exact Mass 694.32139368 g/mol
Monoisotopic Mass 694.32139368 g/mol
Topological Polar Surface Area 217 Ų
Heavy Atom Count 50
Formal Charge 0
Complexity 1370
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes