CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 137.11 Ų [M+H]+ |
|---|---|
| Kovats Retention Index | 1278.3 |
COMPUTED DESCRIPTORS
| Molecular Weight | 167.22 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 167.111027613 g/mol |
| Monoisotopic Mass | 167.111027613 g/mol |
| Topological Polar Surface Area | 12 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 119 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |