338422-55-2
Product Name:
5-(4-CHLOROPHENYL)-2-([4-HYDROXYDIHYDRO-2(3H)-ISOXAZOLYL]METHYLENE)-1,3-CYCLOHEXANEDIONE
Formula:
C16H16ClNO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 321.75 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 321.0767857 g/mol |
| Monoisotopic Mass | 321.0767857 g/mol |
| Topological Polar Surface Area | 66.8 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 465 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |