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526224-73-7

Product Name: HUWENTOXIN IV
Formula: C174H278N52O51S6
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COMPUTED DESCRIPTORS

Molecular Weight 4107 g/mol
XLogP3 -18.7
Hydrogen Bond Donor Count 60
Hydrogen Bond Acceptor Count 65
Rotatable Bond Count 79
Exact Mass 4104.9116345 g/mol
Monoisotopic Mass 4103.9082797 g/mol
Topological Polar Surface Area 1880 Ų
Heavy Atom Count 283
Formal Charge 0
Complexity 9620
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 38
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes