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321998-80-5

321998-80-5 structural image
Product Name: 10-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-9,11-DIOXO-3-OXA-4,10-DIAZATETRACYCLO[5.5.1.0(2,6).0(8,12)]TRIDEC-4-ENE-5-CARBOXYLIC ACID
Formula: C19H16ClF3N4O5
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COMPUTED DESCRIPTORS

Molecular Weight 472.8 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 5
Exact Mass 472.0761318 g/mol
Monoisotopic Mass 472.0761318 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 886
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