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321998-81-6

321998-81-6 structural image
Product Name: 4-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-9-HYDROXY-3,5-DIOXO-4-AZATRICYCLO[5.2.1.0(2,6)]DECANE-8-CARBONITRILE
Formula: C18H16ClF3N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 428.8 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 428.0863026 g/mol
Monoisotopic Mass 428.0863026 g/mol
Topological Polar Surface Area 106 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 756
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 6
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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