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311330-85-5

311330-85-5 structural image
Product Name: 2-amino-1-{4-nitrophenyl}-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula: C20H16N4O3S
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COMPUTED DESCRIPTORS

Molecular Weight 392.4 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 392.09431156 g/mol
Monoisotopic Mass 392.09431156 g/mol
Topological Polar Surface Area 144 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 798
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