1246815-56-4
Product Name:
4-[4-(4-chloro-2,3,5,6-tetradeuteriophenyl)-4-hydroxy-1-oxidopiperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one
Formula:
C21H19ClD4FNO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 395.9 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 395.1601564 g/mol |
| Monoisotopic Mass | 395.1601564 g/mol |
| Topological Polar Surface Area | 55.4 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 494 |
| Isotope Atom Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |