306976-64-7
Product Name:
N-Allyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-1-carbothioamide
Formula:
C13H10ClF3N4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 346.76 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 346.0266797 g/mol |
| Monoisotopic Mass | 346.0266797 g/mol |
| Topological Polar Surface Area | 74.8 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 421 |
| 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 |