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16894-31-8

16894-31-8 structural image
Product Name: 2,2'-[Carbonylbis[imino-1,1'-biphenyl-4,4'-diyl(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo]]bis[5-sulfobenzoic acid]tetrasodium salt
Formula: C47H36N10O13S2
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COMPUTED DESCRIPTORS

Molecular Weight 1100.9 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 19
Rotatable Bond Count 10
Exact Mass 1100.11825059 g/mol
Monoisotopic Mass 1100.11825059 g/mol
Topological Polar Surface Area 367 Ų
Heavy Atom Count 76
Formal Charge 0
Complexity 2180
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 5
Compound Is Canonicalized Yes