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84000-63-5

84000-63-5 structural image
Product Name: disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate
Formula: C26H24ClN9Na2O12S3
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COMPUTED DESCRIPTORS

Molecular Weight 832.2 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 19
Rotatable Bond Count 12
Exact Mass 831.0190470 g/mol
Monoisotopic Mass 831.0190470 g/mol
Topological Polar Surface Area 354 Ų
Heavy Atom Count 53
Formal Charge 0
Complexity 1720
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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