6797-96-2
Product Name:
N-[4-[(3-Carboxy-4-hydroxy-6-sulfonato-1-naphthalenyl)[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methylmethanaminium
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COMPUTED DESCRIPTORS
| Molecular Weight | 519.6 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 519.15898276 g/mol |
| Monoisotopic Mass | 519.15898276 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 1 |
| Complexity | 1050 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |