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1026780-29-9

1026780-29-9 structural image
Product Name: 1-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]-4-(5-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-3-YL)PIPERIDINE
Formula: C22H18F6N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 484.4 g/mol
XLogP3 5.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 3
Exact Mass 484.13339480 g/mol
Monoisotopic Mass 484.13339480 g/mol
Topological Polar Surface Area 77.7 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 707
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