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90817-13-3

90817-13-3 structural image
Product Name: ATRIOPEPTIN III (RAT)
Formula: C107H165N35O34S2
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COMPUTED DESCRIPTORS

Molecular Weight 2549.8 g/mol
XLogP3 -11.8
Hydrogen Bond Donor Count 42
Hydrogen Bond Acceptor Count 40
Rotatable Bond Count 53
Exact Mass 2549.1733146 g/mol
Monoisotopic Mass 2548.1699598 g/mol
Topological Polar Surface Area 1190 Ų
Heavy Atom Count 178
Formal Charge 0
Complexity 5630
Isotope Atom Count 0
Defined Atom Stereocenter Count 21
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes