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338772-44-4

338772-44-4 structural image
Product Name: 1-[3-(4-FLUOROPHENYL)-2,1-BENZISOXAZOL-5-YL]-1-ETHANONE N-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]HYDRAZONE
Formula: C21H13ClF4N4O
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COMPUTED DESCRIPTORS

Molecular Weight 448.8 g/mol
XLogP3 6.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 448.0714014 g/mol
Monoisotopic Mass 448.0714014 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 643
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