691870-00-5
Product Name:
(E)-3-(DIMETHYLAMINO)-1-[3-(4-METHYLPHENYL)-2,1-BENZISOXAZOL-5-YL]-2-PROPEN-1-ONE
Formula:
C19H18N2O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 2.3 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 306.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 306.136827821 g/mol |
| Monoisotopic Mass | 306.136827821 g/mol |
| Topological Polar Surface Area | 46.3 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 441 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |