691869-07-5
Product Name:
5-[2-(3-CHLOROPHENOXY)PHENYL]-4-(1H-1,2,4-TRIAZOL-1-YL)-1,3-CYCLOHEXANEDIONE
Formula:
C20H16ClN3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 381.8 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 381.0880191 g/mol |
| Monoisotopic Mass | 381.0880191 g/mol |
| Topological Polar Surface Area | 74.1 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 561 |
| 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 |