CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 2596 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 286.28 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 286.08412354 g/mol |
| Monoisotopic Mass | 286.08412354 g/mol |
| Topological Polar Surface Area | 68.9 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 458 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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
Pangelin is a natural product found in Angelica japonica, Angelica pachycarpa, and other organisms with data available.