| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RV6X223365 |
| EPA CompTox | DTXSID70164204 |
Structure
| InChI Key | SMVBADCAMQOTOV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.08 |
| AlogP | 1.35 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14924-53-9 |
| NORMAN SUSDAT | |
| FDA SRS | RV6X223365 |
| PubChem | 84700 |
| ChemSpider | 65552.0 |
CONTENTS
