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445384-83-8

445384-83-8 structural image
Product Name: 4,5,6-trimethyl-2-(2-phenylethylsulfanyl)pyridine-3-carbonitrile
Formula: C17H18N2S
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COMPUTED DESCRIPTORS

Molecular Weight 282.4 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 282.11906976 g/mol
Monoisotopic Mass 282.11906976 g/mol
Topological Polar Surface Area 62 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 342
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