1158747-82-0
Product Name:
Hexahydro-3-[[3-(trifluoroMethoxy)phenyl]Methyl]-1H-azepine
Formula:
C14H18F3NO
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COMPUTED DESCRIPTORS
| Molecular Weight | 273.29 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 273.13404868 g/mol |
| Monoisotopic Mass | 273.13404868 g/mol |
| Topological Polar Surface Area | 21.3 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 270 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |