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23509-22-0

23509-22-0 structural image
Product Name: Batrachotoxinin A 20-(5-ethyl-2,4-dimethyl-1H-pyrrole-3-carboxylate)
Formula: C33H46N2O6
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COMPUTED DESCRIPTORS

Molecular Weight 566.7 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 566.33558719 g/mol
Monoisotopic Mass 566.33558719 g/mol
Topological Polar Surface Area 104 Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 1190
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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