121219-38-3
Product Name:
1-HEXYL-4-(4-ISOTHIOCYANATOPHENYL)-BICYC LO(2.2.2)OCTANE, 98
Formula:
C21H29NS
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COMPUTED DESCRIPTORS
| Molecular Weight | 327.5 g/mol |
|---|---|
| XLogP3 | 9.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 327.20207110 g/mol |
| Monoisotopic Mass | 327.20207110 g/mol |
| Topological Polar Surface Area | 44.4 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 405 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |