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5789-21-9

5789-21-9 structural image
Product Name: PHENYLTHIOHYDANTOIN-THREONINE
Formula: C11H12N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 236.29 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 236.06194880 g/mol
Monoisotopic Mass 236.06194880 g/mol
Topological Polar Surface Area 84.7 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 302
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes