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10169-12-7

10169-12-7 structural image
Product Name: Acid blue 117 (C.I. 17055)
Formula: C24H21N5NaO8S2+
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COMPUTED DESCRIPTORS

Molecular Weight 594.6 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 8
Exact Mass 594.07292427 g/mol
Monoisotopic Mass 594.07292427 g/mol
Topological Polar Surface Area 217 Ų
Heavy Atom Count 40
Formal Charge 1
Complexity 1320
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