71592-44-4
Product Name:
hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one
Formula:
C13H17NO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 219.28 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 219.125928785 g/mol |
| Monoisotopic Mass | 219.125928785 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 254 |
| 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 |