860651-45-2
Product Name:
1-(1-ETHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)-2,2,2-TRIFLUORO-1-ETHANONE
Formula:
C11H9F3N2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 242.20 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 242.06669740 g/mol |
| Monoisotopic Mass | 242.06669740 g/mol |
| Topological Polar Surface Area | 34.9 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 306 |
| 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 |