CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 169.15 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] |
|---|---|
| Chemical Classes | PFAS |
COMPUTED DESCRIPTORS
| Molecular Weight | 513.17 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 8 |
| Exact Mass | 512.9691283 g/mol |
| Monoisotopic Mass | 512.9691283 g/mol |
| Topological Polar Surface Area | 54.6 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 746 |
| 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 |