CHEMICAL AND PHYSICAL PROPERTIES
| Melting Point | 170-171 °C (Mesylate salt) |
|---|---|
| Solubility | 8 mg/mL (Mesylate salt) |
| LogP | 3.1 |
| Collision Cross Section | 174 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
COMPUTED DESCRIPTORS
| Molecular Weight | 313.4 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 313.16779360 g/mol |
| Monoisotopic Mass | 313.16779360 g/mol |
| Topological Polar Surface Area | 39.7 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 333 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
Reboxetine is an aromatic ether.