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113858-92-7

113858-92-7 structural image
Product Name: ETHYL 5-CYANO-6-MERCAPTO-2-PHENYLNICOTINATE
Formula: C15H12N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 284.3 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 284.06194880 g/mol
Monoisotopic Mass 284.06194880 g/mol
Topological Polar Surface Area 94.2 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 533
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes