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80474-67-5

80474-67-5 structural image
Product Name: 5-Iodomethyl 6a,9a-Difluoro-11-hydroxy-16a-methyl-3-oxo-17a-(propionyloxy)-androsta-1,4-diene-17-carbothioate
Formula: C25H31F2IO5S
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COMPUTED DESCRIPTORS

Molecular Weight 608.5 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 6
Exact Mass 608.09050 g/mol
Monoisotopic Mass 608.09050 g/mol
Topological Polar Surface Area 106 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 986
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 5
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes