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669050-68-4

669050-68-4 structural image
Product Name: A-CONOTOXIN PIA
Formula: C79H125N27O25S4
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COMPUTED DESCRIPTORS

Molecular Weight 1981.3 g/mol
XLogP3 -11
Hydrogen Bond Donor Count 26
Hydrogen Bond Acceptor Count 32
Rotatable Bond Count 28
Exact Mass 1979.8222773 g/mol
Monoisotopic Mass 1979.8222773 g/mol
Topological Polar Surface Area 936 Ų
Heavy Atom Count 135
Formal Charge 0
Complexity 4340
Isotope Atom Count 0
Defined Atom Stereocenter Count 20
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes