5863-49-0
Product Name:
N-[4-[(2-Chlorophenyl)[3-methyl-4-[(3-sodiosulfobenzyl)amino]phenyl]methylene]-2-methyl-2,5-cyclohexadien-1-ylidene]-3-sulfonatobenzenemethanaminium
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COMPUTED DESCRIPTORS
| Molecular Weight | 698.2 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 697.1209760 g/mol |
| Monoisotopic Mass | 697.1209760 g/mol |
| Topological Polar Surface Area | 150 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 1 |
| Complexity | 1410 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |