| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9A9NBD65O2 |
| EPA CompTox | DTXSID60873237 |
Structure
| InChI Key | HDGQICNBXPAKLR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H18 |
| Molecular Weight | 114.14 |
| AlogP | 3.08 |
| Number of Rotational Bond | 3.0 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 589-43-5 |
| NORMAN SUSDAT | |
| FDA SRS | 9A9NBD65O2 |
| PubChem | 11511 |
| ChemSpider | 11027.0 |
CONTENTS
