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64187-18-4

64187-18-4 structural image
Product Name: N-(p-Tolylsulfonyl)-L-tyrosine cyanomethyl ester
Formula: C18H18N2O5S
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COMPUTED DESCRIPTORS

Molecular Weight 374.4 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 8
Exact Mass 374.09364285 g/mol
Monoisotopic Mass 374.09364285 g/mol
Topological Polar Surface Area 125 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 605
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