339097-07-3
Product Name:
2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2-(2-FLUOROPHENYL)-2-MORPHOLINOACETONITRILE
Formula:
C18H14ClF4N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 399.8 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 399.0761524 g/mol |
| Monoisotopic Mass | 399.0761524 g/mol |
| Topological Polar Surface Area | 49.2 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 563 |
| 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 |