| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NQ9G6S48X9 |
| EPA CompTox | DTXSID4059388 |
Structure
| InChI Key | BMSYXLRQGIFLFO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H11N1O1 |
| Molecular Weight | 113.08 |
| AlogP | 1.33 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 33.02 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 110-47-4 |
| NORMAN SUSDAT | |
| FDA SRS | NQ9G6S48X9 |
| PubChem | 66969 |
| ChemSpider | 11801.0 |
CONTENTS
