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2098114-59-9

2098114-59-9 structural image
Product Name: 1-Piperazinepropanenitrile, β-oxo-4-(2-pyrazinyl)-
Formula: C11H13N5O
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COMPUTED DESCRIPTORS

Molecular Weight 231.25 g/mol
XLogP3 -0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 231.11201006 g/mol
Monoisotopic Mass 231.11201006 g/mol
Topological Polar Surface Area 73.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 315
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