| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AA4HK37RUK |
| EPA CompTox | DTXSID3064483 |
Structure
| InChI Key | SEWQUYBTRMDUQS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H18O4 |
| Molecular Weight | 202.12 |
| AlogP | 1.53 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6829-42-1 |
| NORMAN SUSDAT | |
| FDA SRS | AA4HK37RUK |
| PubChem | 81273 |
| ChemSpider | 73328.0 |
CONTENTS
