832741-30-7
Product Name:
4-(4-FLUORO-PHENYL)-2-THIOXO-6-TRIFLUOROMETHYL-2,3-DIHYDRO-PYRIDINE-3-CARBONITRILE
Formula:
C13H6F4N2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 298.26 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 298.01878202 g/mol |
| Monoisotopic Mass | 298.01878202 g/mol |
| Topological Polar Surface Area | 68.2 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 518 |
| 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 |