439097-21-9
Product Name:
5-(2-THIENYL)-4-(1H-1,2,4-TRIAZOL-1-YL)-1,3-CYCLOHEXANEDIONE
Formula:
C12H11N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 261.30 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 261.05719778 g/mol |
| Monoisotopic Mass | 261.05719778 g/mol |
| Topological Polar Surface Area | 93.1 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 363 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |