CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 211.9 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
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COMPUTED DESCRIPTORS
Molecular Weight | 449.0 g/mol |
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XLogP3 | 4.4 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 7 |
Exact Mass | 448.1917559 g/mol |
Monoisotopic Mass | 448.1917559 g/mol |
Topological Polar Surface Area | 66.6 Ų |
Heavy Atom Count | 32 |
Formal Charge | 0 |
Complexity | 581 |
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 |