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477856-03-4

477856-03-4 structural image
Product Name: 3-([5-(CYCLOPENTYLSULFANYL)-1,3,4-THIADIAZOL-2-YL]SULFANYL)CYCLOHEXANONE
Formula: C13H18N2OS3
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COMPUTED DESCRIPTORS

Molecular Weight 314.5 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 314.05812672 g/mol
Monoisotopic Mass 314.05812672 g/mol
Topological Polar Surface Area 122 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 323
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