439094-63-0
Product Name:
1-[3-(4-METHYLPHENYL)-2,1-BENZISOXAZOL-5-YL]-1-ETHANONE
Formula:
C16H13NO2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 26.2 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 251.28 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 251.094628657 g/mol |
| Monoisotopic Mass | 251.094628657 g/mol |
| Topological Polar Surface Area | 43.1 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 336 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |