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Homecas153217-83-5

153217-83-5

153217-83-5 structural image
Product Name: XB 596
Formula: C31H25N5O8.CH4O3S
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COMPUTED DESCRIPTORS

Molecular Weight 691.7 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 9
Exact Mass 691.15842793 g/mol
Monoisotopic Mass 691.15842793 g/mol
Topological Polar Surface Area 241 Ų
Heavy Atom Count 49
Formal Charge 0
Complexity 1280
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes