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121512-58-1

121512-58-1 structural image
Product Name: (3-CHLOROQUINOXALIN-2-YL)(PHENYLSULFONYL)ACETONITRILE
Formula: C16H10ClN3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 343.8 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 343.0182254 g/mol
Monoisotopic Mass 343.0182254 g/mol
Topological Polar Surface Area 92.1 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 562
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

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