| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S27IJL8RH3 |
| EPA CompTox | DTXSID2035308 |
| InChI Key | QTGIYXFCSKXKMO-XPSMFNQNSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H24O2 |
| Molecular Weight | 224.18 |
| AlogP | 4.0 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 64726-91-6 |
| NORMAN SUSDAT | |
| FDA SRS | S27IJL8RH3 |
| PubChem | 6435920 |
| ChemSpider | 4940605.0 |