| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | E12FIG07JK |
| EPA CompTox | DTXSID1047158 |
Structure
| InChI Key | CETWDUZRCINIHU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16O1 |
| Molecular Weight | 116.12 |
| AlogP | 1.95 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 543-49-7 |
| NORMAN SUSDAT | |
| FDA SRS | E12FIG07JK |
| PubChem | 10976 |
| ChemSpider | 10511.0 |
CONTENTS
