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845866-70-8

845866-70-8 structural image
Product Name: (1S,4S)-(+)-2-(4-TRIFLUOROMETHYL-BENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE 2CF3COOH
Formula: C13H15F3N2
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COMPUTED DESCRIPTORS

Molecular Weight 484.31 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 2
Exact Mass 484.10446049 g/mol
Monoisotopic Mass 484.10446049 g/mol
Topological Polar Surface Area 89.9 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 381
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes