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Homecas2158322-33-7

2158322-33-7

2158322-33-7 structural image
Product Name: PAC
Formula: C94H107N13O16
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COMPUTED DESCRIPTORS

Molecular Weight 1674.9 g/mol
XLogP3 10.2
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 43
Exact Mass 1674.79922921 g/mol
Monoisotopic Mass 1673.79587438 g/mol
Topological Polar Surface Area 381 Ų
Heavy Atom Count 123
Formal Charge 0
Complexity 3550
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes