| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NNP2388RMX |
| EPA CompTox | DTXSID50176446 |
Structure
| InChI Key | YXNVQGOUNCUZKH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O4 |
| Molecular Weight | 174.09 |
| AlogP | 0.89 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22007-58-5 |
| NORMAN SUSDAT | |
| FDA SRS | NNP2388RMX |
| PubChem | 89146 |
| ChemSpider | 80442.0 |
CONTENTS
