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45323-83-9

45323-83-9 structural image
Product Name: secretin (21-27)
Formula: C36H68N12O8.2BrH.3H2O
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COMPUTED DESCRIPTORS

Molecular Weight 797.0 g/mol
XLogP3 -0.7
Hydrogen Bond Donor Count 11
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 27
Exact Mass 796.52830717 g/mol
Monoisotopic Mass 796.52830717 g/mol
Topological Polar Surface Area 351 Ų
Heavy Atom Count 56
Formal Charge 0
Complexity 1370
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes