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860786-77-2

860786-77-2 structural image
Product Name: 5-(BENZYLSULFONYL)-7-(TRIFLUOROMETHYL)-1,2,3,3A,4,5-HEXAHYDROPYRROLO[1,2-A]QUINOXALINE
Formula: C19H19F3N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 396.4 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 396.11193351 g/mol
Monoisotopic Mass 396.11193351 g/mol
Topological Polar Surface Area 49 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 628
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes