| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3V1KE0N8D5 |
| EPA CompTox | DTXSID5062425 |
Structure
| InChI Key | SZWBRVPZWJYIHI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H18O1 |
| Molecular Weight | 178.14 |
| AlogP | 3.52 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2446-69-7 |
| NORMAN SUSDAT | |
| FDA SRS | 3V1KE0N8D5 |
| PubChem | 17132 |
| ChemSpider | 16216.0 |
CONTENTS
