84371-64-2
Product Name:
Estr-9-en-3-one, 11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-17-(1-propynyl)-, cyclic 1,2-ethanediyl acetal, (5a,11b,17b)-
Formula:
C31H41NO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 491.7 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 491.30355879 g/mol |
| Monoisotopic Mass | 491.30355879 g/mol |
| Topological Polar Surface Area | 62.2 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 977 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |