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182114-34-7

182114-34-7 structural image
Product Name: (S)-N-(4-CYANO-2-NITRO-PHENYL)-L-TYROSINE
Formula: C16H13N3O5
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COMPUTED DESCRIPTORS

Molecular Weight 327.29 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 327.08552052 g/mol
Monoisotopic Mass 327.08552052 g/mol
Topological Polar Surface Area 139 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 504
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes