| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | B017BC5B1N |
| EPA CompTox | DTXSID5021756 |
Structure
| InChI Key | QXLPXWSKPNOQLE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H10O1 |
| Molecular Weight | 98.07 |
| AlogP | 0.78 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 77-75-8 |
| NORMAN SUSDAT | |
| FDA SRS | B017BC5B1N |
| PubChem | 6494 |
| ChemSpider | 21106516.0 |
CONTENTS
