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6428-41-7

6428-41-7 structural image
Product Name: C.I. Direct Blue, heptasodium salt
Formula: C52H38N11NaO25S7
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COMPUTED DESCRIPTORS

Molecular Weight 1594.3 g/mol
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 36
Rotatable Bond Count 14
Exact Mass 1592.8743137 g/mol
Monoisotopic Mass 1592.8743137 g/mol
Topological Polar Surface Area 703 Ų
Heavy Atom Count 102
Formal Charge 0
Complexity 3660
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 8
Compound Is Canonicalized Yes