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98105-79-4

98105-79-4 structural image
Product Name: 1-(p-Fluoro-phenyl-6-fluoro-7-chloro-4-oxo-3-quinolinecarboxylic acid
Formula: C16H8ClF2NO3
Synonyms: 7-Chloro-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >50.4 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 335.69 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 335.0160771 g/mol
Monoisotopic Mass 335.0160771 g/mol
Topological Polar Surface Area 57.6 Ų
Heavy Atom Count 23
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