| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00176299 |
| InChI Key | PBHMHFVAFKKQIA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H24O5 |
| Molecular Weight | 248.16 |
| AlogP | 0.46 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 86.99 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 21897-55-2 |
| NORMAN SUSDAT | |
| PubChem | 89093 |
| ChemSpider | 237982.0 |