338397-75-4
Product Name:
1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-N-(CYANOMETHYL)-1H-PYRROLE-2-CARBOXAMIDE
Formula:
C13H8ClF3N4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 328.68 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 328.0338731 g/mol |
| Monoisotopic Mass | 328.0338731 g/mol |
| Topological Polar Surface Area | 70.7 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 464 |
| 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 |