104502-49-0
Product Name:
2(5H)-FURANONE, 3-BROMO-5-((HEXAHYDRO-1H-AZEPIN-1-YL)METHYL)-4,5-DIMET HYL-
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COMPUTED DESCRIPTORS
| Molecular Weight | 302.21 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 301.06774 g/mol |
| Monoisotopic Mass | 301.06774 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 345 |
| 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 |