CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 226.49 Ų [M-H]- [CCS Type: TIMS, Method: single field calibrated] |
|---|---|
| Kovats Retention Index | 3547.92 |
COMPUTED DESCRIPTORS
| Molecular Weight | 508.9 g/mol |
|---|---|
| XLogP3 | 16.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 32 |
| Exact Mass | 508.52193141 g/mol |
| Monoisotopic Mass | 508.52193141 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 406 |
| 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 |