439110-59-5
Product Name:
5-(3-CHLOROPHENYL)-4-(1H-1,2,4-TRIAZOL-1-YL)-1,3-CYCLOHEXANEDIONE
Formula:
C14H12ClN3O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 289.71 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 289.0618043 g/mol |
| Monoisotopic Mass | 289.0618043 g/mol |
| Topological Polar Surface Area | 64.8 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 404 |
| 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 |