| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 03F9K11C7W |
| EPA CompTox | DTXSID90862295 |
Structure
| InChI Key | RGRUUTLDBCWYBL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16O |
| Molecular Weight | 116.12 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 617-29-8 |
| NORMAN SUSDAT | |
| FDA SRS | 03F9K11C7W |
| PubChem | 12040 |
CONTENTS
