| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3Z22EY4W9R |
| EPA CompTox | DTXSID30176262 |
Structure
| InChI Key | GROXSGRIVDMIEN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11N1O1 |
| Molecular Weight | 125.08 |
| AlogP | 1.71 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 32.59 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2186-33-6 |
| NORMAN SUSDAT | |
| FDA SRS | 3Z22EY4W9R |
| PubChem | 75139 |
| ChemSpider | 67687.0 |
CONTENTS
