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100045-68-9

100045-68-9 structural image
Product Name: 2-S-glutathionylcaffeic acid
Formula: C19H23N3O10S
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COMPUTED DESCRIPTORS

Molecular Weight 485.5 g/mol
XLogP3 -3.3
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 13
Exact Mass 485.11041511 g/mol
Monoisotopic Mass 485.11041511 g/mol
Topological Polar Surface Area 262 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 762
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes