| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | N3400NO5KU |
| EPA CompTox | DTXSID70858752 |
Structure
| InChI Key | GXOHBWLPQHTYPF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O3 |
| Molecular Weight | 160.11 |
| AlogP | 1.1 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6382-06-5 |
| NORMAN SUSDAT | |
| FDA SRS | N3400NO5KU |
| PubChem | 101145 |
CONTENTS
