61813-57-8
Product Name:
Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl][4-(phenylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:1)
Formula:
C43H42N3NaO6S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 782.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 13 |
| Exact Mass | 782.23344767 g/mol |
| Monoisotopic Mass | 782.23344767 g/mol |
| Topological Polar Surface Area | 147 Ų |
| Heavy Atom Count | 55 |
| Formal Charge | 1 |
| Complexity | 1560 |
| 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 |