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42849-28-5

42849-28-5 structural image
Product Name: beta-methyllanthionine
Formula: C7H14N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 222.26 g/mol
XLogP3 -5.9
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 222.06742811 g/mol
Monoisotopic Mass 222.06742811 g/mol
Topological Polar Surface Area 152 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 224
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes