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72031-20-0

72031-20-0 structural image
Product Name: 5,10-Diacetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzo diazepine
Formula: C18H23N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 313.4 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 313.17902698 g/mol
Monoisotopic Mass 313.17902698 g/mol
Topological Polar Surface Area 43.9 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 501
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes