| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 77V2P4WCQ2 |
| EPA CompTox | DTXSID70156381 |
| InChI Key | IHSFHIUGYHMYNR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H18O6 |
| Molecular Weight | 258.11 |
| AlogP | 0.81 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 86.74 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 13018-41-2 |
| NORMAN SUSDAT | |
| FDA SRS | 77V2P4WCQ2 |
| PubChem | 83049 |
| ChemSpider | 74905.0 |