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845266-26-4

845266-26-4 structural image
Product Name: 5-(2-PHENYLETHYNYL)NICOTINONITRILE
Formula: C14H8N2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 5.6 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 204.23 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 204.068748264 g/mol
Monoisotopic Mass 204.068748264 g/mol
Topological Polar Surface Area 36.7 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 332
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