439112-22-8
Product Name:
5-(2-FURYL)-4-(1H-1,2,4-TRIAZOL-1-YL)-1,3-CYCLOHEXANEDIONE
Formula:
C12H11N3O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 245.23 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 245.08004122 g/mol |
| Monoisotopic Mass | 245.08004122 g/mol |
| Topological Polar Surface Area | 78 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 361 |
| 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 |