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478046-86-5

478046-86-5 structural image
Product Name: 4-[4-(2-THIENYLCARBONYL)PIPERAZINO]BENZENECARBONITRILE
Formula: C16H15N3OS
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COMPUTED DESCRIPTORS

Molecular Weight 297.4 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 297.09358328 g/mol
Monoisotopic Mass 297.09358328 g/mol
Topological Polar Surface Area 75.6 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 417
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