84000-63-5
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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