6416-27-9
Product Name:
N-Ethyl-N-[4-[[4-(diethylamino)phenyl][2-sulfonato-5-[(3-sodiosulfobenzyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]ethanaminium
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COMPUTED DESCRIPTORS
| Molecular Weight | 672.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 12 |
| Exact Mass | 672.21779760 g/mol |
| Monoisotopic Mass | 672.21779760 g/mol |
| Topological Polar Surface Area | 147 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 1 |
| Complexity | 1270 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |