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12217-74-2

12217-74-2 structural image
Product Name: DIRECT YELLOW 117
Formula: C30H25N6NaO11S3
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COMPUTED DESCRIPTORS

Molecular Weight 806.7 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 7
Exact Mass 806.01235187 g/mol
Monoisotopic Mass 806.01235187 g/mol
Topological Polar Surface Area 297 Ų
Heavy Atom Count 53
Formal Charge 0
Complexity 1510
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 4
Compound Is Canonicalized Yes