| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7MKD8SMM75 |
| EPA CompTox | DTXSID70211368 |
Structure
| InChI Key | FCBBRODPXVPZAH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H20O |
| Molecular Weight | 144.15 |
| AlogP | 2.73 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 623-93-8 |
| NORMAN SUSDAT | |
| FDA SRS | 7MKD8SMM75 |
| PubChem | 12202 |
CONTENTS
