| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | N2Q6723TG6 |
| EPA CompTox | DTXSID00206348 |
| InChI Key | BQAQPTBVFWRVPE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.1 |
| AlogP | 2.05 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 57647-92-4 |
| NORMAN SUSDAT | |
| FDA SRS | N2Q6723TG6 |
| PubChem | 93748 |
| ChemSpider | 83064.0 |