519164-95-5
Product Name:
Quinoline, 4-ethynyl-1,2,3,5,6,7,8,8a-octahydro-2-methyl-, (2R,8aS)-rel- (9CI)
Formula:
C12H17N
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 175.27 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 175.136099547 g/mol |
| Monoisotopic Mass | 175.136099547 g/mol |
| Topological Polar Surface Area | 12 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 279 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |