| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20240087 |
Structure
| InChI Key | ZAJDPZZYLOEGDB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O1 |
| Molecular Weight | 176.12 |
| AlogP | 2.82 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 93981-51-2 |
| NORMAN SUSDAT | |
| PubChem | 3023161 |
| ChemSpider | 2289450.0 |
CONTENTS
