| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DJ5D5JU86A |
| EPA CompTox | DTXSID40175322 |
Structure
| InChI Key | NJHQOQAEEYIWOB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16O2 |
| Molecular Weight | 132.12 |
| AlogP | 0.63 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2109-23-1 |
| NORMAN SUSDAT | |
| FDA SRS | DJ5D5JU86A |
| PubChem | 75022 |
| ChemSpider | 67575.0 |
CONTENTS
