| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5386E25C2L |
| EPA CompTox | DTXSID60211534 |
Structure
| InChI Key | FMLSQAUAAGVTJO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16O1 |
| Molecular Weight | 116.12 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 625-06-9 |
| NORMAN SUSDAT | |
| FDA SRS | 5386E25C2L |
| PubChem | 12235 |
| ChemSpider | 11734.0 |
CONTENTS
