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1219402-51-3

1219402-51-3 structural image
Product Name: Allantoin-13C2,15N4
Formula: C4H6N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 164.07 g/mol
XLogP3 -2.2
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 164.03883931 g/mol
Monoisotopic Mass 164.03883931 g/mol
Topological Polar Surface Area 113 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 225
Isotope Atom Count 6
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

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