84045-63-6
Product Name:
trisodium 5-[[5-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxopyridine-3-methanesulphonate
Formula:
C24H20ClN8Na3O11S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 797.1 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 8 |
| Exact Mass | 795.9795275 g/mol |
| Monoisotopic Mass | 795.9795275 g/mol |
| Topological Polar Surface Area | 325 Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1570 |
| 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 | 4 |
| Compound Is Canonicalized | Yes |