CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1625 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 220.35 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 220.182715385 g/mol |
| Monoisotopic Mass | 220.182715385 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 326 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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
CID 15934381 is a natural product found in Xylopia emarginata, Melampodium divaricatum, and other organisms with data available.