85126-23-4
Product Name:
1-(2-Hydroxyiminomethyl-1-pyridinio)-3-(4-isovaleryl-1-pyridinio)-2-ox apropane diiodide
Formula:
C18H23N3O3.2I
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COMPUTED DESCRIPTORS
| Molecular Weight | 583.2 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 582.98289 g/mol |
| Monoisotopic Mass | 582.98289 g/mol |
| Topological Polar Surface Area | 66.6 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 426 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |