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252976-11-7

252976-11-7 structural image
Product Name: 5A-PREGNAN-11B,17A,21-TRIOL-3,20-DIONE-1,2,4,5-D4
Formula: C21H28D4O5
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COMPUTED DESCRIPTORS

Molecular Weight 368.5 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 368.25008110 g/mol
Monoisotopic Mass 368.25008110 g/mol
Topological Polar Surface Area 94.8 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 632
Isotope Atom Count 4
Defined Atom Stereocenter Count 8
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes