339011-29-9
Product Name:
2,2,2-TRIFLUOROETHYL 6-[4-(3-CHLOROPHENYL)PIPERAZINO]NICOTINATE
Formula:
C18H17ClF3N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 399.8 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 399.0961390 g/mol |
| Monoisotopic Mass | 399.0961390 g/mol |
| Topological Polar Surface Area | 45.7 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 501 |
| Isotope Atom Count | 0 |
| 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 |