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110078-44-9

110078-44-9 structural image
Product Name: 1,1'-[1,3-PHENYLENEBIS-(METHYLENE)]-BIS-(1,4,8,11-TETRAAZACYCLOTETRADECANE) OCTAHYDROCHLORIDE
Formula: C28H54N8
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COMPUTED DESCRIPTORS

Molecular Weight 794.5 g/mol
Hydrogen Bond Donor Count 14
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 794.254665 g/mol
Monoisotopic Mass 790.260566 g/mol
Topological Polar Surface Area 78.7 Ų
Heavy Atom Count 44
Formal Charge 0
Complexity 466
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 9
Compound Is Canonicalized Yes