622791-20-2
Product Name:
[(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] cyclohexanecarboxylate
Formula:
C21H19NO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 349.4 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 349.13140809 g/mol |
| Monoisotopic Mass | 349.13140809 g/mol |
| Topological Polar Surface Area | 65.5 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 566 |
| 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 |