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1025259-60-2

1025259-60-2 structural image
Product Name: 2-((4-BROMOPHENYL)SULFONYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE
Formula: C20H12BrN3O4S2
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COMPUTED DESCRIPTORS

Molecular Weight 502.4 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 500.94526 g/mol
Monoisotopic Mass 500.94526 g/mol
Topological Polar Surface Area 150 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 791
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes