CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 181.4 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
---|
COMPUTED DESCRIPTORS
Molecular Weight | 337.4 g/mol |
---|---|
XLogP3 | 1.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 4 |
Exact Mass | 337.14264148 g/mol |
Monoisotopic Mass | 337.14264148 g/mol |
Topological Polar Surface Area | 74.9 Ų |
Heavy Atom Count | 25 |
Formal Charge | 0 |
Complexity | 502 |
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 |