CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 219.8 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
---|
COMPUTED DESCRIPTORS
Molecular Weight | 617.3 g/mol |
---|---|
XLogP3 | 6.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 10 |
Exact Mass | 616.99239 g/mol |
Monoisotopic Mass | 616.99239 g/mol |
Topological Polar Surface Area | 51.5 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 508 |
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 |
PRODUCT INTRODUCTION
description
N-desethylamiodarone is an aromatic ketone.