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97218-10-5

97218-10-5 structural image
Product Name: 5,5-Dimethyl-1,3-cyclohexanedione bis(4-phenyl thiosemicarbazone)
Formula: C22H26N6S2
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COMPUTED DESCRIPTORS

Molecular Weight 438.6 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 438.16603720 g/mol
Monoisotopic Mass 438.16603720 g/mol
Topological Polar Surface Area 137 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 607
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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