| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S3WK54I49F |
| EPA CompTox | DTXSID90402190 |
Structure
| InChI Key | QNMHRRCVEGQTPS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.09 |
| AlogP | 1.22 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13159-51-8 |
| NORMAN SUSDAT | |
| FDA SRS | S3WK54I49F |
| PubChem | 3015483 |
CONTENTS
