CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 150 °C at 5.00E-01 mm Hg |
|---|---|
| Melting Point | < 25 °C |
| Solubility | 47.7 [ug/mL] (The mean of the results at pH 7.4) |
| Collision Cross Section | 178.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
COMPUTED DESCRIPTORS
| Molecular Weight | 335.5 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 13 |
| Exact Mass | 335.24604391 g/mol |
| Monoisotopic Mass | 335.24604391 g/mol |
| Topological Polar Surface Area | 38.8 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 332 |
| 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
Oxeladin is an alkylbenzene.