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6245-62-1

6245-62-1 structural image
Product Name: C.I. Acid Red 116
Formula: C22H15N4NaO4S
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COMPUTED DESCRIPTORS

Molecular Weight 454.4 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 454.07117043 g/mol
Monoisotopic Mass 454.07117043 g/mol
Topological Polar Surface Area 135 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 746
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 2
Compound Is Canonicalized Yes