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5822-62-8

5822-62-8 structural image
Product Name: D-Theanine
Formula: C7H14N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 174.20 g/mol
XLogP3 -3.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 174.10044231 g/mol
Monoisotopic Mass 174.10044231 g/mol
Topological Polar Surface Area 92.4 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 170
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