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5001-72-9

5001-72-9 structural image
Product Name: Direct Red 31
Formula: C32H21N5Na2O8S2
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COMPUTED DESCRIPTORS

Molecular Weight 713.7 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 6
Exact Mass 713.06269356 g/mol
Monoisotopic Mass 713.06269356 g/mol
Topological Polar Surface Area 233 Ų
Heavy Atom Count 49
Formal Charge 0
Complexity 1200
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 3
Compound Is Canonicalized Yes

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