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1268725-95-6

1268725-95-6 structural image
Product Name: (S)-2-((2-(hydroxydiphenylmethyl)pyrrolidin-1-yl)methyl)-6-(trifluoromethyl)phenol
Formula: C25H24F3NO2
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COMPUTED DESCRIPTORS

Molecular Weight 427.5 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 427.17591349 g/mol
Monoisotopic Mass 427.17591349 g/mol
Topological Polar Surface Area 43.7 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 554
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes