CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 186.21 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] |
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Chemical Classes | PFAS |
COMPUTED DESCRIPTORS
Molecular Weight | 600.15 g/mol |
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XLogP3 | 6.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 24 |
Rotatable Bond Count | 9 |
Exact Mass | 599.9311065 g/mol |
Monoisotopic Mass | 599.9311065 g/mol |
Topological Polar Surface Area | 62.8 Ų |
Heavy Atom Count | 35 |
Formal Charge | 0 |
Complexity | 907 |
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 |