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142221-23-6

142221-23-6 structural image
Product Name: 2-[(2-OXO-2-PHENYLETHYL)THIO]NICOTINIC ACID
Formula: C14H11NO3S
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COMPUTED DESCRIPTORS

Molecular Weight 273.31 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 273.04596439 g/mol
Monoisotopic Mass 273.04596439 g/mol
Topological Polar Surface Area 92.6 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 329
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