75857-80-6
Product Name:
3'H-Cyclopropa[1,2]cholest-1-ene-3'-carboxylic acid, 3'-cyano-1,2-dihydro-3-oxo-, ethyl ester, (1β,2β,5α)- (9CI)
Formula:
C32H49NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 495.7 g/mol |
|---|---|
| XLogP3 | 8.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 495.37124443 g/mol |
| Monoisotopic Mass | 495.37124443 g/mol |
| Topological Polar Surface Area | 67.2 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 948 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |