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23639-64-7

23639-64-7 structural image
Product Name: 5,5'-[[6-[[5-Hydroxy-6-[(2-carboxyphenyl)azo]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazine-2,4-diyl]bis[imino(4,1-phenylene)azo]]bis[2-hydroxybenzoic acid]
Formula: C46H32N12O12S
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COMPUTED DESCRIPTORS

Molecular Weight 976.9 g/mol
XLogP3 9.5
Hydrogen Bond Donor Count 10
Hydrogen Bond Acceptor Count 24
Rotatable Bond Count 16
Exact Mass 976.19833568 g/mol
Monoisotopic Mass 976.19833568 g/mol
Topological Polar Surface Area 384 Ų
Heavy Atom Count 71
Formal Charge 0
Complexity 1930
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 1
Compound Is Canonicalized Yes