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73738-04-2

73738-04-2 structural image
Product Name: 5-Phenyl-5-ethyl-D5-2-thiobarbituric Acid
Formula: C12H7D5N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 253.33 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 253.09333253 g/mol
Monoisotopic Mass 253.09333253 g/mol
Topological Polar Surface Area 90.3 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 342
Isotope Atom Count 5
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

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