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311318-18-0

311318-18-0 structural image
Product Name: 2-amino-4-(4-chlorophenyl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula: C22H17ClN4O3
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COMPUTED DESCRIPTORS

Molecular Weight 420.8 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 420.0989181 g/mol
Monoisotopic Mass 420.0989181 g/mol
Topological Polar Surface Area 116 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 844
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes