338954-16-8
Product Name:
1-[5-(([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)methyl)-4,5-dihydro-3-isoxazolyl]-1-ethanone oxime
Formula:
C12H12ClF3N4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 336.70 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 336.0600878 g/mol |
| Monoisotopic Mass | 336.0600878 g/mol |
| Topological Polar Surface Area | 79.1 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 458 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |