CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 137.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
---|
COMPUTED DESCRIPTORS
Molecular Weight | 198.69 g/mol |
---|---|
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 1 |
Exact Mass | 198.0923762 g/mol |
Monoisotopic Mass | 198.0923762 g/mol |
Topological Polar Surface Area | 24.9 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 136 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 2 |
Compound Is Canonicalized | Yes |