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477846-17-6

477846-17-6 structural image
Product Name: 2-(CYCLOPENTYLSULFANYL)-5-([2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]SULFANYL)-1,3,4-THIADIAZOLE
Formula: C14H11F3N4O4S3
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COMPUTED DESCRIPTORS

Molecular Weight 452.5 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 4
Exact Mass 451.98945285 g/mol
Monoisotopic Mass 451.98945285 g/mol
Topological Polar Surface Area 196 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 562
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes