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477859-36-2

477859-36-2 structural image
Product Name: 2,2,2-TRIFLUORO-1-(1-(4-FLUOROPHENYL)-2-METHYL-5-[4-(METHYLSULFONYL)PHENYL]-1H-PYRROL-3-YL)-1-ETHANONE O-METHYLOXIME
Formula: C21H18F4N2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 454.4 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 454.09742626 g/mol
Monoisotopic Mass 454.09742626 g/mol
Topological Polar Surface Area 69 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 737
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes