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12269-88-4

12269-88-4 structural image
Product Name: Acid Brown 98
Formula: C48H39FeN15O21S3
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COMPUTED DESCRIPTORS

Molecular Weight 1314.0 g/mol
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 30
Rotatable Bond Count 12
Exact Mass 1313.095642 g/mol
Monoisotopic Mass 1313.095642 g/mol
Topological Polar Surface Area 559 Ų
Heavy Atom Count 88
Formal Charge 0
Complexity 811
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 4
Compound Is Canonicalized Yes