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6252-57-9

6252-57-9 structural image
Product Name: SIRIUS SUPRA BLUE
Formula: C46H27N7Na4O14S4
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COMPUTED DESCRIPTORS

Molecular Weight 1122.0 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 21
Rotatable Bond Count 8
Exact Mass 1121.0089604 g/mol
Monoisotopic Mass 1121.0089604 g/mol
Topological Polar Surface Area 389 Ų
Heavy Atom Count 75
Formal Charge 0
Complexity 2350
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 5
Compound Is Canonicalized Yes