| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZS4VG3QVA4 |
| EPA CompTox | DTXSID50234914 |
| InChI Key | BICXXVISHWTVBS-MDZDMXLPSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H20O3 |
| Molecular Weight | 224.14 |
| AlogP | 2.65 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 85650-93-7 |
| NORMAN SUSDAT | |
| FDA SRS | ZS4VG3QVA4 |
| PubChem | 14698632 |
| ChemSpider | 21165094.0 |