| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7029324 |
| InChI Key | QVHMSMOUDQXMRS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H26O5 |
| Molecular Weight | 250.18 |
| AlogP | 0.57 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 68.15 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 24800-25-7 |
| NORMAN SUSDAT | |
| PubChem | 91234 |
| ChemSpider | 82386.0 |