91776-84-0
Product Name:
1-Ethyl-4-((E)-3-[1-ethyl-6-(methoxycarbonyl)-4(1H)-quinolinylidene]-1-propenyl)-6-(methoxycarbonyl)quinolinium iodide
Formula:
C29H29IN2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 596.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 596.11721 g/mol |
| Monoisotopic Mass | 596.11721 g/mol |
| Topological Polar Surface Area | 59.7 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 784 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |