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957471-96-4

957471-96-4 structural image
Product Name: D13-9001
Formula: C31H39N11O6S
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COMPUTED DESCRIPTORS

Molecular Weight 693.8 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 12
Exact Mass 693.28054918 g/mol
Monoisotopic Mass 693.28054918 g/mol
Topological Polar Surface Area 239 Ų
Heavy Atom Count 49
Formal Charge 0
Complexity 1460
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes