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96865-92-8

96865-92-8 structural image
Product Name: XANTHINE AMINE CONGENER
Formula: C21H28N6O4
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COMPUTED DESCRIPTORS

Molecular Weight 428.5 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 10
Exact Mass 428.21720340 g/mol
Monoisotopic Mass 428.21720340 g/mol
Topological Polar Surface Area 134 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 639
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