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115797-06-3

115797-06-3 structural image
Product Name: ALPHA-CONOTOXIN SI
Formula: C55H88N16O16S4
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COMPUTED DESCRIPTORS

Molecular Weight 1357.7 g/mol
XLogP3 -4.8
Hydrogen Bond Donor Count 20
Hydrogen Bond Acceptor Count 22
Rotatable Bond Count 38
Exact Mass 1356.54470548 g/mol
Monoisotopic Mass 1356.54470548 g/mol
Topological Polar Surface Area 514 Ų
Heavy Atom Count 91
Formal Charge 0
Complexity 2560
Isotope Atom Count 0
Defined Atom Stereocenter Count 12
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes