| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4I64Y9N2WO |
| EPA CompTox | DTXSID0060432 |
Structure
| InChI Key | PSXNDMJWRZYVTM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H24O2 |
| Molecular Weight | 200.18 |
| AlogP | 3.69 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 589-75-3 |
| NORMAN SUSDAT | |
| FDA SRS | 4I64Y9N2WO |
| PubChem | 11517 |
| ChemSpider | 11033.0 |
CONTENTS
