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189956-45-4

189956-45-4 structural image
Product Name: 4-((4-Oxo-1,4-dihydropyriMidin-2-yl)aMino)benzonitrile
Formula: C11H8N4O
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COMPUTED DESCRIPTORS

Molecular Weight 212.21 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 212.06981089 g/mol
Monoisotopic Mass 212.06981089 g/mol
Topological Polar Surface Area 77.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 382
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

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