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478336-92-4

478336-92-4 structural image
Product Name: MIF Antagonist, ISO-1
Formula: C12H13NO4
Synonyms: ;(S,R)-3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazole acetic acid, methyl ester, Macrophage Migration Inhibitory Factor Antagonist, ISO-1;InSolution MIF Antagonist, ISO-1 - CAS 478336-92-4 - Calbiochem;MIF Antagonist, ISO-1 - CAS 478336-92-4 - Calbiochem
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COMPUTED DESCRIPTORS

Molecular Weight 235.24 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 235.08445790 g/mol
Monoisotopic Mass 235.08445790 g/mol
Topological Polar Surface Area 68.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 308
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