| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | YU6SU8CCVB |
| EPA CompTox | DTXSID2060460 |
Structure
| InChI Key | JVSWJIKNEAIKJW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H18 |
| Molecular Weight | 114.14 |
| AlogP | 3.22 |
| Number of Rotational Bond | 4.0 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 592-27-8 |
| NORMAN SUSDAT | |
| FDA SRS | YU6SU8CCVB |
| PubChem | 11594 |
| ChemSpider | 11106.0 |
CONTENTS
