| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FHL88SZ8XT |
| EPA CompTox | DTXSID70146207 |
Structure
| InChI Key | PLRXAFVBCHEMGD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H17NO |
| Molecular Weight | 143.13 |
| AlogP | 0.85 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 23.47 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 104-58-5 |
| NORMAN SUSDAT | |
| FDA SRS | FHL88SZ8XT |
| PubChem | 66032 |
CONTENTS
