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123209-96-1

123209-96-1 structural image
Product Name: Type A Allatostatin III
Formula: C42H62N10O12
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COMPUTED DESCRIPTORS

Molecular Weight 899.0 g/mol
XLogP3 -1.2
Hydrogen Bond Donor Count 13
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 27
Exact Mass 898.45486745 g/mol
Monoisotopic Mass 898.45486745 g/mol
Topological Polar Surface Area 363 Ų
Heavy Atom Count 64
Formal Charge 0
Complexity 1570
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 6
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes