CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 153.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 249.26 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 249.078978594 g/mol |
| Monoisotopic Mass | 249.078978594 g/mol |
| Topological Polar Surface Area | 39.2 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 312 |
| 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
Benzoic acid 8-quinolinyl ester is a member of quinolines.