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1212097-79-4

1212097-79-4 structural image
Product Name: DIMETHYL 5,5-DICYANO-6-(4-CYANOPHENYL)-4-(2-FLUOROPHENYL)-2-HYDROXY-1-CYCLOHEXENE-1,3-DICARBOXYLATE
Formula: C25H18FN3O5
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COMPUTED DESCRIPTORS

Molecular Weight 459.4 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 6
Exact Mass 459.12304885 g/mol
Monoisotopic Mass 459.12304885 g/mol
Topological Polar Surface Area 144 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 987
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes