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175135-83-8

175135-83-8 structural image
Product Name: 2-[(4-METHYLPHENYL)THIO]NICOTINAMIDE
Formula: C13H12N2OS
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >36.6 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 244.31 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 244.06703418 g/mol
Monoisotopic Mass 244.06703418 g/mol
Topological Polar Surface Area 81.3 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 264
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