61507-56-0
Product Name:
5-Heptenoic acid, 7-2-3-(3-chlorophenoxy)-2-hydroxypropylthio-3,5-dihydroxycyclopentyl-
Formula:
C21H29ClO6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 445.0 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 444.1373375 g/mol |
| Monoisotopic Mass | 444.1373375 g/mol |
| Topological Polar Surface Area | 133 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 519 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |