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339098-58-7

339098-58-7 structural image
Product Name: 1-ADAMANTYL(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)METHANONE
Formula: C21H25ClF3N3O
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COMPUTED DESCRIPTORS

Molecular Weight 427.9 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 427.1638246 g/mol
Monoisotopic Mass 427.1638246 g/mol
Topological Polar Surface Area 36.4 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 608
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