2642-25-3
Product Name:
1-ethyl-4-[3-(3-ethyl-3H-benzothiazol-2-ylidene)prop-1-enyl]quinolinium iodide
Formula:
C23H23IN2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 486.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 486.06267 g/mol |
| Monoisotopic Mass | 486.06267 g/mol |
| Topological Polar Surface Area | 32.4 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 528 |
| 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 |