154384-02-8
Product Name:
2-THIOXO-1,2,5,6,7,8,9,10-OCTAHYDROCYCLOOCTA[B]PYRIDIN-3-YL CYANIDE
Formula:
C12H14N2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 218.32 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 218.08776963 g/mol |
| Monoisotopic Mass | 218.08776963 g/mol |
| Topological Polar Surface Area | 67.9 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 395 |
| 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 |