77429-12-0
Product Name:
3-Quinolinecarbonitrile, 1,4-dihydro-4-oxo-2-(trifluoromethyl)-
Formula:
C11H5F3N2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 238.16 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 238.03539727 g/mol |
| Monoisotopic Mass | 238.03539727 g/mol |
| Topological Polar Surface Area | 52.9 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 430 |
| 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 |