| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J6M8XN7WNT |
| EPA CompTox | DTXSID00972132 |
Structure
| InChI Key | AOEMTQGYLIGXQM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H17NO2 |
| Molecular Weight | 147.13 |
| AlogP | -0.32 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 43.7 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 56684-95-8 |
| NORMAN SUSDAT | |
| FDA SRS | J6M8XN7WNT |
| PubChem | 92498 |
CONTENTS
