CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 2485 2488 2508 2488 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 369.4 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 1 |
| Exact Mass | 369.17875220 g/mol |
| Monoisotopic Mass | 369.17875220 g/mol |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 635 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Jacoline is a natural product found in Senecio pseudo-orientalis, Senecio pterophorus, and Jacobaea vulgaris with data available.