108661-81-0
Product Name:
(1-alpha,2-beta,6-beta)-2-(4-(3-Methoxyphenyl)-1-piperazinyl)-6-phenox ycyclohexanol 2HCl
Formula:
C23H31ClN2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 455.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 454.1789983 g/mol |
| Monoisotopic Mass | 454.1789983 g/mol |
| Topological Polar Surface Area | 45.2 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 463 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |