| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10197990 |
Structure
| InChI Key | MLFLWIBXZIPYEI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.1 |
| AlogP | 1.75 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 49714-52-5 |
| NORMAN SUSDAT | |
| PubChem | 639797 |
| ChemSpider | 555191.0 |
CONTENTS
