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1616761-00-2

1616761-00-2 structural image
Product Name: 3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyriMidin-4-yl)(Methyl)aMino)-4-Methylpiperidin-1-yl)-3-oxopropanenitrile
Formula: C16H19ClN6O
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COMPUTED DESCRIPTORS

Molecular Weight 346.81 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 346.1308869 g/mol
Monoisotopic Mass 346.1308869 g/mol
Topological Polar Surface Area 88.9 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 522
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes