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13567-07-2

13567-07-2 structural image
Product Name: BETA-AMANITIN
Formula: C39H53N9O15S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index]
Chemical Classes Biological Agents -> Mushroom Toxins

COMPUTED DESCRIPTORS

Molecular Weight 920.0 g/mol
XLogP3 -3.8
Hydrogen Bond Donor Count 13
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 7
Exact Mass 919.33818319 g/mol
Monoisotopic Mass 919.33818319 g/mol
Topological Polar Surface Area 394 Ų
Heavy Atom Count 64
Formal Charge 0
Complexity 1840
Isotope Atom Count 0
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