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871982-52-4

871982-52-4 structural image
Product Name: ROQUEFORTINE E
Formula: C27H31N5O2
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COMPUTED DESCRIPTORS

Molecular Weight 457.6 g/mol
XLogP3 5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 457.24777525 g/mol
Monoisotopic Mass 457.24777525 g/mol
Topological Polar Surface Area 90.1 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 939
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes