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477850-66-1

477850-66-1 structural image
Product Name: 5-PHENYL-4-(([3-(TRIFLUOROMETHYL)BENZYL]AMINO)METHYLENE)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
Formula: C18H14F3N3O
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COMPUTED DESCRIPTORS

Molecular Weight 345.3 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 345.10889656 g/mol
Monoisotopic Mass 345.10889656 g/mol
Topological Polar Surface Area 53.5 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 550
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