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 |