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1029364-73-5

1029364-73-5 structural image
Product Name: 1-Cyclopropyl-1,4-dihydro-6,8-dimethoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid
Formula: C22H27N3O5
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COMPUTED DESCRIPTORS

Molecular Weight 413.5 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 413.19507097 g/mol
Monoisotopic Mass 413.19507097 g/mol
Topological Polar Surface Area 91.3 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 738
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 1
Compound Is Canonicalized Yes