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1324-87-4

Product Name: Direct brown 33 (C.I. 35520)
Formula: C44H32N10O12S3.3Na
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COMPUTED DESCRIPTORS

Molecular Weight 1054.9 g/mol
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 22
Rotatable Bond Count 9
Exact Mass 1054.08216277 g/mol
Monoisotopic Mass 1054.08216277 g/mol
Topological Polar Surface Area 408 Ų
Heavy Atom Count 72
Formal Charge 0
Complexity 2150
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