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92163-78-5

92163-78-5 structural image
Product Name: 1-[3-NITRO-4-(PHENYLTHIO)PHENYL]ETHAN-1-ONE
Formula: C14H11NO3S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 3.1 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 273.31 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 273.04596439 g/mol
Monoisotopic Mass 273.04596439 g/mol
Topological Polar Surface Area 88.2 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 336
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