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107761-24-0

107761-24-0 structural image
Product Name: ST638
Formula: C19H18N2O3S
Synonyms: α-Cyano-(3-ethoxy-4-hydroxy-5-phenylthiomethyl)cinnamide
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COMPUTED DESCRIPTORS

Molecular Weight 354.4 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 354.10381361 g/mol
Monoisotopic Mass 354.10381361 g/mol
Topological Polar Surface Area 122 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 522
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes