473465-11-1
Product Name:
ethyl 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonate
Formula:
C18H18N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 342.4 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 342.10381361 g/mol |
| Monoisotopic Mass | 342.10381361 g/mol |
| Topological Polar Surface Area | 80.6 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 491 |
| 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 |