| Keyword(s): | Natural Toxins |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90894031 |
Structure
| InChI Key | CBUOBMSAFIYYEJ-ZCFIWIBFSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.1 |
| AlogP | 2.22 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 74.6 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| NORMAN SUSDAT | |
| ChemSpider | 27023177.0 |
CONTENTS
