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112806-33-4

112806-33-4 structural image
Product Name: amitriptyline N-glucuronide
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COMPUTED DESCRIPTORS

Molecular Weight 453.5 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 453.21513771 g/mol
Monoisotopic Mass 453.21513771 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 692
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes